3-[(2-chloranyl-4-cyano-phenyl)sulfonylamino]-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-4-cyano-phenyl)sulfonylamino]-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[(2-chloro-4-cyano-phenyl)sulfonylamino]-5-(4-isobutylphenyl)thiophene-2-carboxylic acid CAS Name: 3-[(2-chloro-4-cyanophenyl)sulfonylamino]-5-[4-(2-methylpropyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-chloro-4-cyanophenyl)sulfonylamino]-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxylic acid Traditional Name: 3-[(2-chloro-4-cyano-phenyl)sulfonylamino]-5-(4-isobutylphenyl)-2-thenoic acid Formula: C22H19ClN2O4S2 MolecularWeight: 474.98026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NS(=O)(=O)C3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NS(=O)(=O)C3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C22H19ClN2O4S2/c1-13(2)9-14-3-6-16(7-4-14)19-11-18(21(30-19)22(26)27)25-31(28,29)20-8-5-15(12-24)10-17(20)23/h3-8,10-11,13,25H,9H2,1-2H3,(H,26,27)