4-(4-but-2-ynoxyphenyl)sulfonyl-1-pyridin-3-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-pyridin-3-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(pyridine-3-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[oxo(3-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(pyridine-3-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-nicotinoyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C26H23N3O6S MolecularWeight: 505.54232

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H23N3O6S/c1-2-3-15-35-21-10-12-22(13-11-21)36(33,34)29-17-20-7-4-5-9-23(20)28(18-24(29)26(31)32)25(30)19-8-6-14-27-16-19/h4-14,16,24H,15,17-18H2,1H3,(H,31,32)