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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-methoxypropanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-methoxypropanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-methoxy-1-oxopropyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-methoxypropanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-methoxypropanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C24H26N2O7S MolecularWeight: 486.53744

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O7S/c1-3-4-14-33-19-9-11-20(12-10-19)34(30,31)26-16-18-7-5-6-8-21(18)25(17-22(26)24(28)29)23(27)13-15-32-2/h5-12,22H,13-17H2,1-2H3,(H,28,29)