2-azanyl-6-(4-methoxyphenyl)sulfonyl-3-methyl-4-(pyridin-3-ylmethyl)-5-thiophen-2-yl-benzoic acid

Systemtic Name: 2-azanyl-6-(4-methoxyphenyl)sulfonyl-3-methyl-4-(pyridin-3-ylmethyl)-5-thiophen-2-yl-benzoic acid Openeye Name: 2-amino-6-(4-methoxyphenyl)sulfonyl-3-methyl-4-(3-pyridylmethyl)-5-(2-thienyl)benzoic acid CAS Name: 2-amino-6-(4-methoxyphenyl)sulfonyl-3-methyl-4-(3-pyridinylmethyl)-5-thiophen-2-ylbenzoic acid IUPAC Name: 2-amino-6-(4-methoxyphenyl)sulfonyl-3-methyl-4-(pyridin-3-ylmethyl)-5-thiophen-2-ylbenzoic acid Traditional Name: 2-amino-6-(4-methoxyphenyl)sulfonyl-3-methyl-4-(3-pyridylmethyl)-5-(2-thienyl)benzoic acid Formula: C25H22N2O5S2 MolecularWeight: 494.58258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CC2=CN=CC=C2)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O)N

Isomeric SMILES

CC1=C(C(=C(C(=C1CC2=CN=CC=C2)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O)N

InChI

InChI=1S/C25H22N2O5S2/c1-15-19(13-16-5-3-11-27-14-16)21(20-6-4-12-33-20)24(22(23(15)26)25(28)29)34(30,31)18-9-7-17(32-2)8-10-18/h3-12,14H,13,26H2,1-2H3,(H,28,29)