1-(2-methoxyethanoyl)-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 1-(2-methoxyethanoyl)-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-(2-methoxyacetyl)-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 1-(2-methoxy-1-oxoethyl)-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-(2-methoxyacetyl)-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-(2-methoxyacetyl)-4-(4-methoxyphenyl)sulfonyl-7-methyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)C(=O)COC

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)C(=O)COC

InChI

InChI=1S/C21H24N2O7S/c1-14-4-9-18-15(10-14)11-23(19(21(25)26)12-22(18)20(24)13-29-2)31(27,28)17-7-5-16(30-3)6-8-17/h4-10,19H,11-13H2,1-3H3,(H,25,26)