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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-methoxyethanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-methoxyacetyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-methoxy-1-oxoethyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-methoxyacetyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-methoxyacetyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C23H24N2O7S MolecularWeight: 472.51086

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O7S/c1-3-4-13-32-18-9-11-19(12-10-18)33(29,30)25-14-17-7-5-6-8-20(17)24(22(26)16-31-2)15-21(25)23(27)28/h5-12,21H,13-16H2,1-2H3,(H,27,28)