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

Systemtic Name: 5-(4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-benzoic acid Openeye Name: 5-(4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-benzoic acid CAS Name: 5-(4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-3-methylbenzoic acid IUPAC Name: 5-(4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbenzoic acid Traditional Name: 5-(4-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-benzoic acid Formula: C28H26N2O6S MolecularWeight: 518.58084

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O6S/c1-19-15-22(21-6-8-23(35-2)9-7-21)16-26(28(31)32)27(19)30(18-20-5-4-14-29-17-20)37(33,34)25-12-10-24(36-3)11-13-25/h4-17H,18H2,1-3H3,(H,31,32)