3-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethylamino)benzoic acid

Systemtic Name: 3-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethylamino)benzoic acid Openeye Name: 3-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridylmethylamino)benzoic acid CAS Name: 3-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridinylmethylamino)benzoic acid IUPAC Name: 3-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethylamino)benzoic acid Traditional Name: 3-(4-methoxyphenyl)sulfonyl-5-methyl-2-(3-pyridylmethylamino)benzoic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N2O5S/c1-14-10-18(21(24)25)20(23-13-15-4-3-9-22-12-15)19(11-14)29(26,27)17-7-5-16(28-2)6-8-17/h3-12,23H,13H2,1-2H3,(H,24,25)