4-(2-methoxy-2-oxidanylidene-ethyl)-2-[2-(phenylmethyl)phenyl]-3-sulfamoyl-benzoic acid

Systemtic Name: 4-(2-methoxy-2-oxidanylidene-ethyl)-2-[2-(phenylmethyl)phenyl]-3-sulfamoyl-benzoic acid Openeye Name: 2-(2-benzylphenyl)-4-(2-methoxy-2-oxo-ethyl)-3-sulfamoyl-benzoic acid CAS Name: 4-(2-methoxy-2-oxoethyl)-2-[2-(phenylmethyl)phenyl]-3-sulfamoylbenzoic acid IUPAC Name: 2-(2-benzylphenyl)-4-(2-methoxy-2-oxoethyl)-3-sulfamoylbenzoic acid Traditional Name: 2-(2-benzylphenyl)-4-(2-keto-2-methoxy-ethyl)-3-sulfamoyl-benzoic acid Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=C(C=C1)C(=O)O)C2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)N

Isomeric SMILES

COC(=O)CC1=C(C(=C(C=C1)C(=O)O)C2=CC=CC=C2CC3=CC=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C23H21NO6S/c1-30-20(25)14-17-11-12-19(23(26)27)21(22(17)31(24,28)29)18-10-6-5-9-16(18)13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,26,27)(H2,24,28,29)