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

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-(piperidin-4-ylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-(4-piperidylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-(4-piperidinylmethyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-(piperidin-4-ylmethyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-(4-piperidylmethyl)amino]-5-phenyl-2-thenoic acid Formula: C24H22Cl2N2O3S MolecularWeight: 489.41408

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CNCCC1CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H22Cl2N2O3S/c25-17-6-7-18(19(26)12-17)23(29)28(14-15-8-10-27-11-9-15)20-13-21(32-22(20)24(30)31)16-4-2-1-3-5-16/h1-7,12-13,15,27H,8-11,14H2,(H,30,31)