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

Systemtic Name: 2-azanyl-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-(pyridin-3-ylmethyl)benzoic acid Openeye Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-(3-pyridylmethyl)benzoic acid CAS Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-(3-pyridinylmethyl)benzoic acid IUPAC Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-(pyridin-3-ylmethyl)benzoic acid Traditional Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-(3-pyridylmethyl)benzoic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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