1-[2-(dimethylamino)ethanoyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

Systemtic Name: 1-[2-(dimethylamino)ethanoyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-[2-(dimethylamino)acetyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 1-[2-(dimethylamino)-1-oxoethyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-[2-(dimethylamino)acetyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-[2-(dimethylamino)acetyl]-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CN(C)CC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C21H25N3O6S/c1-22(2)14-20(25)23-13-19(21(26)27)24(12-15-6-4-5-7-18(15)23)31(28,29)17-10-8-16(30-3)9-11-17/h4-11,19H,12-14H2,1-3H3,(H,26,27)