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

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-pyrrolidin-1-ylethanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-pyrrolidin-1-ylacetyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[1-oxo-2-(1-pyrrolidinyl)ethyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-pyrrolidin-1-ylacetyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-pyrrolidinoacetyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)CN4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)CN4CCCC4

InChI

InChI=1S/C23H27N3O6S/c1-32-18-8-10-19(11-9-18)33(30,31)26-14-17-6-2-3-7-20(17)25(15-21(26)23(28)29)22(27)16-24-12-4-5-13-24/h2-3,6-11,21H,4-5,12-16H2,1H3,(H,28,29)