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

Systemtic Name: 4-(4-but-1-ynoxyphenyl)sulfonyl-1-cyclopropylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-but-1-ynoxyphenyl)sulfonyl-1-(cyclopropanecarbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-but-1-ynoxyphenyl)sulfonyl-1-[cyclopropyl(oxo)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-but-1-ynoxyphenyl)sulfonyl-1-(cyclopropanecarbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-but-1-ynoxyphenyl)sulfonyl-1-(cyclopropanecarbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C24H24N2O6S MolecularWeight: 468.52216

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Descriptors Computed from Structure

Canonical SMILES:

CCC#COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4CC4

Isomeric SMILES

CCC#COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4CC4

InChI

InChI=1S/C24H24N2O6S/c1-2-3-14-32-19-10-12-20(13-11-19)33(30,31)26-15-18-6-4-5-7-21(18)25(16-22(26)24(28)29)23(27)17-8-9-17/h4-7,10-13,17,22H,2,8-9,15-16H2,1H3,(H,28,29)