899721-22-3
4-([(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-METHYL)CYCLOHEXANECARBOXYLIC ACID
Name
4-([(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-METHYL)CYCLOHEXANECARBOXYLIC ACID
Formula
C14 H17 N3 O4 S2
MolWeight
355.437
1Identification
【Name】
4-([(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-METHYL)CYCLOHEXANECARBOXYLIC ACID
【CAS】
【MDL】
MFCD12027238
【English Synonyms】
【Formula】
C14 H17 N3 O4 S2
【MolWeight】
355.437
【Inchi】
InChI=1S/C14H17N3O4S2/c18-14(19)10-6-4-9(5-7-10)8-15-23(20,21)12-3-1-2-11-13(12)17-22-16-11/h1-3,9-10,15H,4-8H2,(H,18,19)
【InChIKey】
InChIKey=IUCPNJCAPZVNJW-UHFFFAOYSA-N
【SMILES】
c1cc2c(c(c1)S(=O)(=O)NCC3CCC(CC3)C(=O)O)nsn2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-([(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-METHYL)CYCLOHEXANECARBOXYLIC ACID.cml
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