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

Systemtic Name: 1-(2-methoxyethanoyl)-4-(4-pyridin-4-yloxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Openeye Name: 1-(2-methoxyacetyl)-4-[4-(4-pyridyloxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid CAS Name: 1-(2-methoxy-1-oxoethyl)-4-(4-pyridin-4-yloxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid IUPAC Name: 1-(2-methoxyacetyl)-4-(4-pyridin-4-yloxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Traditional Name: 1-(2-methoxyacetyl)-4-[4-(4-pyridyloxy)phenyl]sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid Formula: C24H23N3O7S MolecularWeight: 497.52032

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=NC=C4)C(=O)O

Isomeric SMILES

COCC(=O)N1CC(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C24H23N3O7S/c1-33-16-23(28)26-15-22(24(29)30)27(14-17-4-2-3-5-21(17)26)35(31,32)20-8-6-18(7-9-20)34-19-10-12-25-13-11-19/h2-13,22H,14-16H2,1H3,(H,29,30)