2-azanyl-3-[(4-methoxypyridin-3-yl)-(phenylsulfonyl)methyl]-5-methyl-benzoic acid

Systemtic Name: 2-azanyl-3-[(4-methoxypyridin-3-yl)-(phenylsulfonyl)methyl]-5-methyl-benzoic acid Openeye Name: 2-amino-3-[benzenesulfonyl-(4-methoxy-3-pyridyl)methyl]-5-methyl-benzoic acid CAS Name: 2-amino-3-[benzenesulfonyl-(4-methoxy-3-pyridinyl)methyl]-5-methylbenzoic acid IUPAC Name: 2-amino-3-[benzenesulfonyl-(4-methoxypyridin-3-yl)methyl]-5-methylbenzoic acid Traditional Name: 2-amino-3-[besyl-(4-methoxy-3-pyridyl)methyl]-5-methyl-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)N)C(C2=C(C=CN=C2)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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