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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-cyclobutylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(cyclobutanecarbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[cyclobutyl(oxo)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(cyclobutanecarbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(cyclobutanecarbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C25H26N2O6S MolecularWeight: 482.54874

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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)C4CCC4

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4CCC4

InChI

InChI=1S/C25H26N2O6S/c1-2-3-15-33-20-11-13-21(14-12-20)34(31,32)27-16-19-7-4-5-10-22(19)26(17-23(27)25(29)30)24(28)18-8-6-9-18/h4-5,7,10-14,18,23H,6,8-9,15-17H2,1H3,(H,29,30)