4-[[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]amino]benzenesulfonic acid CAS Name: 4-[[3-cyano-5-methyl-4-(4-methylphenyl)-2-thiophenyl]amino]benzenesulfonic acid IUPAC Name: 4-[[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino]benzenesulfonic acid Traditional Name: 4-[[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]amino]besylic acid Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC3=CC=C(C=C3)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC3=CC=C(C=C3)S(=O)(=O)O)C

InChI

InChI=1S/C19H16N2O3S2/c1-12-3-5-14(6-4-12)18-13(2)25-19(17(18)11-20)21-15-7-9-16(10-8-15)26(22,23)24/h3-10,21H,1-2H3,(H,22,23,24)