885273-77-8
1-OXO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE
Name1-OXO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE
1Identification
【Name】
1-OXO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE
【CAS】
【MDL】
MFCD04114871
【English Synonyms】
【Formula】
C9 H10 N2 O3 S
【MolWeight】
226.255
【Inchi】
InChI=1S/C9H10N2O3S/c10-15(13,14)7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)(H2,10,13,14)
【InChIKey】
InChIKey=LTDOQWRNSHGTEW-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1S(=O)(=O)N)C(=O)NCC2
【MOL File】
1-OXO-1,2,3,4-TETRAH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-OXO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE.cml