methyl 4-(4-methylphenyl)sulfonyl-3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 4-(4-methylphenyl)sulfonyl-3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: methyl 4-(p-tolylsulfonyl)-3-(thiophene-2-carbonylamino)benzoate CAS Name: 4-(4-methylphenyl)sulfonyl-3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)sulfonyl-3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)-4-tosyl-benzoic acid methyl ester Formula: C20H17NO5S2 MolecularWeight: 415.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H17NO5S2/c1-13-5-8-15(9-6-13)28(24,25)18-10-7-14(20(23)26-2)12-16(18)21-19(22)17-4-3-11-27-17/h3-12H,1-2H3,(H,21,22)