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

Systemtic Name: 2-azanyl-3-(methoxymethyl)-5-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)benzoic acid Openeye Name: 2-amino-3-(methoxymethyl)-5-(4-methoxyphenyl)sulfonyl-4-(3-pyridylmethyl)benzoic acid CAS Name: 2-amino-3-(methoxymethyl)-5-(4-methoxyphenyl)sulfonyl-4-(3-pyridinylmethyl)benzoic acid IUPAC Name: 2-amino-3-(methoxymethyl)-5-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)benzoic acid Traditional Name: 2-amino-3-(methoxymethyl)-5-(4-methoxyphenyl)sulfonyl-4-(3-pyridylmethyl)benzoic acid Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(=CC(=C1CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)N

Isomeric SMILES

COCC1=C(C(=CC(=C1CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)N

InChI

InChI=1S/C22H22N2O6S/c1-29-13-19-17(10-14-4-3-9-24-12-14)20(11-18(21(19)23)22(25)26)31(27,28)16-7-5-15(30-2)6-8-16/h3-9,11-12H,10,13,23H2,1-2H3,(H,25,26)