3-[(2,4-dichlorophenyl)carbonyl-(1-piperidin-4-ylethyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-(1-piperidin-4-ylethyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-[1-(4-piperidyl)ethyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-[1-(4-piperidinyl)ethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-(1-piperidin-4-ylethyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-[1-(4-piperidyl)ethyl]amino]-5-phenyl-2-thenoic acid Formula: C25H24Cl2N2O3S MolecularWeight: 503.44066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCNCC1)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C1CCNCC1)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/C25H24Cl2N2O3S/c1-15(16-9-11-28-12-10-16)29(24(30)19-8-7-18(26)13-20(19)27)21-14-22(33-23(21)25(31)32)17-5-3-2-4-6-17/h2-8,13-16,28H,9-12H2,1H3,(H,31,32)