5-cyano-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-4-(phenylmethyl)benzoic acid

Systemtic Name: 5-cyano-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-4-(phenylmethyl)benzoic acid Openeye Name: 4-benzyl-5-cyano-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-benzoic acid CAS Name: 5-cyano-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-4-(phenylmethyl)benzoic acid IUPAC Name: 4-benzyl-5-cyano-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoic acid Traditional Name: 4-benzyl-5-cyano-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-benzoic acid Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1NS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O)C#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC(=C1NS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O5S/c1-15-20(12-16-6-4-3-5-7-16)17(14-24)13-21(23(26)27)22(15)25-31(28,29)19-10-8-18(30-2)9-11-19/h3-11,13,25H,12H2,1-2H3,(H,26,27)