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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CC(CNC1)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

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