4-(4-methoxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C20H24N2O7S2 MolecularWeight: 468.54376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C20H24N2O7S2/c1-3-12-30(25,26)21-14-19(20(23)24)22(13-15-6-4-5-7-18(15)21)31(27,28)17-10-8-16(29-2)9-11-17/h4-11,19H,3,12-14H2,1-2H3,(H,23,24)