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

Systemtic Name: 3-[(2-chlorophenyl)carbonyl-(piperidin-4-ylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2-chlorobenzoyl)-(4-piperidylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2-chlorophenyl)-oxomethyl]-(4-piperidinylmethyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-chlorobenzoyl)-(piperidin-4-ylmethyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2-chlorobenzoyl)-(4-piperidylmethyl)amino]-5-phenyl-2-thenoic acid Formula: C24H23ClN2O3S MolecularWeight: 454.96902

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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=CC=CC=C4Cl

Isomeric SMILES

C1CNCCC1CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H23ClN2O3S/c25-19-9-5-4-8-18(19)23(28)27(15-16-10-12-26-13-11-16)20-14-21(31-22(20)24(29)30)17-6-2-1-3-7-17/h1-9,14,16,26H,10-13,15H2,(H,29,30)