2-azanyl-6-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(pyridin-3-ylmethyl)benzoic acid

Systemtic Name: 2-azanyl-6-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(pyridin-3-ylmethyl)benzoic acid Openeye Name: 2-amino-6-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(3-pyridylmethyl)benzoic acid CAS Name: 2-amino-6-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(3-pyridinylmethyl)benzoic acid IUPAC Name: 2-amino-6-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(pyridin-3-ylmethyl)benzoic acid Traditional Name: 2-amino-6-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(3-pyridylmethyl)benzoic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1N)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC)C)CC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=C(C(=C1N)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC)C)CC3=CN=CC=C3

InChI

InChI=1S/C22H22N2O5S/c1-13-18(11-15-5-4-10-24-12-15)14(2)21(19(20(13)23)22(25)26)30(27,28)17-8-6-16(29-3)7-9-17/h4-10,12H,11,23H2,1-3H3,(H,25,26)