2-azanyl-4-(4-methoxyphenyl)sulfonyl-5-methyl-3-phenyl-6-(pyridin-3-ylmethyl)benzoic acid

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-5-methyl-3-phenyl-6-(pyridin-3-ylmethyl)benzoic acid Openeye Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-5-methyl-3-phenyl-6-(3-pyridylmethyl)benzoic acid CAS Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-5-methyl-3-phenyl-6-(3-pyridinylmethyl)benzoic acid IUPAC Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-5-methyl-3-phenyl-6-(pyridin-3-ylmethyl)benzoic acid Traditional Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-5-methyl-3-phenyl-6-(3-pyridylmethyl)benzoic acid Formula: C27H24N2O5S MolecularWeight: 488.55486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CC2=CN=CC=C2)C(=O)O)N)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=C(C(=C1CC2=CN=CC=C2)C(=O)O)N)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

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