3-[(2,4-dimethylphenyl)sulfonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dimethylphenyl)sulfonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dimethylphenyl)sulfonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(2,4-dimethylphenyl)sulfonyl-methylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dimethylphenyl)sulfonyl-methylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dimethylphenyl)sulfonyl-methyl-amino]-5-phenyl-2-thenoic acid Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO4S2/c1-13-9-10-18(14(2)11-13)27(24,25)21(3)16-12-17(26-19(16)20(22)23)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,22,23)