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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CNCCC1N(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/c24-15-6-7-17(18(25)12-15)22(28)27(16-8-10-26-11-9-16)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)