887587-83-9
3-(3-CARBAMOYL-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name3-(3-CARBAMOYL-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
3-(3-CARBAMOYL-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD06657066
【English Synonyms】
【Formula】
C16 H22 N2 O5 S
【MolWeight】
354.425
【Inchi】
InChI=1S/C16H22N2O5S/c1-16(2,3)23-15(20)18-8-7-13(10-18)24(21,22)12-6-4-5-11(9-12)14(17)19/h4-6,9,13H,7-8,10H2,1-3H3,(H2,17,19)
【InChIKey】
InChIKey=FHNZVXCONNVBGK-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(C1)S(=O)(=O)c2cccc(c2)C(=O)N
【MOL File】
3-(3-CARBAMOYL-BENZE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3-CARBAMOYL-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml