3-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-4-methyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-4-methyl-thiophene-2-carboxylic acid Openeye Name: 3-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-4-methyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-4-methyl-2-thiophenecarboxylic acid IUPAC Name: 3-[benzyl-(4-methoxyphenyl)sulfonylamino]-4-methylthiophene-2-carboxylic acid Traditional Name: 3-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-4-methyl-2-thenoic acid Formula: C20H19NO5S2 MolecularWeight: 417.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=CSC(=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C20H19NO5S2/c1-14-13-27-19(20(22)23)18(14)21(12-15-6-4-3-5-7-15)28(24,25)17-10-8-16(26-2)9-11-17/h3-11,13H,12H2,1-2H3,(H,22,23)