1-cyclopropylcarbonyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 1-cyclopropylcarbonyl-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-(cyclopropanecarbonyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 1-[cyclopropyl(oxo)methyl]-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-(cyclopropanecarbonyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-(cyclopropanecarbonyl)-4-[4-(4-methoxybut-2-ynoxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4CC4

Isomeric SMILES

COCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4CC4

InChI

InChI=1S/C25H26N2O7S/c1-33-14-4-5-15-34-20-10-12-21(13-11-20)35(31,32)27-16-19-6-2-3-7-22(19)26(17-23(27)25(29)30)24(28)18-8-9-18/h2-3,6-7,10-13,18,23H,8-9,14-17H2,1H3,(H,29,30)