2-(4-chlorophenyl)sulfanyl-N-[4-(phenylmethyl)-4-pyrrolidin-1-yl-cyclohexyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[4-(phenylmethyl)-4-pyrrolidin-1-yl-cyclohexyl]pyridine-3-carboxamide Openeye Name: N-(4-benzyl-4-pyrrolidin-1-yl-cyclohexyl)-2-(4-chlorophenyl)sulfanyl-pyridine-3-carboxamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[4-(phenylmethyl)-4-(1-pyrrolidinyl)cyclohexyl]-3-pyridinecarboxamide IUPAC Name: N-(4-benzyl-4-pyrrolidin-1-ylcyclohexyl)-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(4-benzyl-4-pyrrolidino-cyclohexyl)-2-[(4-chlorophenyl)thio]nicotinamide Formula: C29H32ClN3OS MolecularWeight: 506.10188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2(CCC(CC2)NC(=O)C3=C(N=CC=C3)SC4=CC=C(C=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2(CCC(CC2)NC(=O)C3=C(N=CC=C3)SC4=CC=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C29H32ClN3OS/c30-23-10-12-25(13-11-23)35-28-26(9-6-18-31-28)27(34)32-24-14-16-29(17-15-24,33-19-4-5-20-33)21-22-7-2-1-3-8-22/h1-3,6-13,18,24H,4-5,14-17,19-21H2,(H,32,34)