2-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-5-methyl-3-(4-phenylphenyl)benzoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-5-methyl-3-(4-phenylphenyl)benzoic acid Openeye Name: 2-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-5-methyl-3-(4-phenylphenyl)benzoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridinyl)amino]-5-methyl-3-(4-phenylphenyl)benzoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-ylamino]-5-methyl-3-(4-phenylphenyl)benzoic acid Traditional Name: 2-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-5-methyl-3-(4-phenylphenyl)benzoic acid Formula: C33H28N2O5S MolecularWeight: 564.65082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC=C(C=C2)C3=CC=CC=C3)N(CS(=O)(=O)C4=CC=C(C=C4)OC)C5=CN=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC=C(C=C2)C3=CC=CC=C3)N(CS(=O)(=O)C4=CC=C(C=C4)OC)C5=CN=CC=C5)C(=O)O

InChI

InChI=1S/C33H28N2O5S/c1-23-19-30(26-12-10-25(11-13-26)24-7-4-3-5-8-24)32(31(20-23)33(36)37)35(27-9-6-18-34-21-27)22-41(38,39)29-16-14-28(40-2)15-17-29/h3-21H,22H2,1-2H3,(H,36,37)