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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-methylfuran-2-yl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-methylfuran-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(3-methyl-2-furanyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-methylfuran-2-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(3-methyl-2-furoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C26H24N2O7S MolecularWeight: 508.54296

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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=C(C=CO4)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)O)C(=O)C4=C(C=CO4)C

InChI

InChI=1S/C26H24N2O7S/c1-3-4-14-34-20-9-11-21(12-10-20)36(32,33)28-16-19-7-5-6-8-22(19)27(17-23(28)26(30)31)25(29)24-18(2)13-15-35-24/h5-13,15,23H,14,16-17H2,1-2H3,(H,30,31)