2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-phenyl-benzoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-phenyl-benzoic acid Openeye Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-5-phenyl-benzoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-3-methyl-5-phenylbenzoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-phenylbenzoic acid Traditional Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-5-phenyl-benzoic acid Formula: C27H24N2O5S MolecularWeight: 488.55486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N(CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1N(CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O5S/c1-19-15-22(21-8-4-3-5-9-21)16-25(27(30)31)26(19)29(18-20-7-6-14-28-17-20)35(32,33)24-12-10-23(34-2)11-13-24/h3-17H,18H2,1-2H3,(H,30,31)