3-[[1-(2,4-dichlorophenyl)carbonylpiperidin-4-yl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[1-(2,4-dichlorophenyl)carbonylpiperidin-4-yl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[1-(2,4-dichlorobenzoyl)-4-piperidyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[1-[(2,4-dichlorophenyl)-oxomethyl]-4-piperidinyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[1-(2,4-dichlorobenzoyl)piperidin-4-yl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[1-(2,4-dichlorobenzoyl)-4-piperidyl]amino]-5-phenyl-2-thenoic acid Formula: C23H20Cl2N2O3S MolecularWeight: 475.3875

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCC1NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H20Cl2N2O3S/c24-15-6-7-17(18(25)12-15)22(28)27-10-8-16(9-11-27)26-19-13-20(31-21(19)23(29)30)14-4-2-1-3-5-14/h1-7,12-13,16,26H,8-11H2,(H,29,30)