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

Systemtic Name: 4-[[4-(4-chlorophenyl)-3-cyano-5-methyl-thiophen-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[[4-(4-chlorophenyl)-3-cyano-5-methyl-2-thienyl]amino]benzenesulfonic acid CAS Name: 4-[[4-(4-chlorophenyl)-3-cyano-5-methyl-2-thiophenyl]amino]benzenesulfonic acid IUPAC Name: 4-[[4-(4-chlorophenyl)-3-cyano-5-methylthiophen-2-yl]amino]benzenesulfonic acid Traditional Name: 4-[[4-(4-chlorophenyl)-3-cyano-5-methyl-2-thienyl]amino]besylic acid Formula: C18H13ClN2O3S2 MolecularWeight: 404.89042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC2=CC=C(C=C2)S(=O)(=O)O)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=C(S1)NC2=CC=C(C=C2)S(=O)(=O)O)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H13ClN2O3S2/c1-11-17(12-2-4-13(19)5-3-12)16(10-20)18(25-11)21-14-6-8-15(9-7-14)26(22,23)24/h2-9,21H,1H3,(H,22,23,24)