(3S)-N-(2-chloranyl-5-methylsulfonyl-phenyl)-1-(4-chlorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-chloranyl-5-methylsulfonyl-phenyl)-1-(4-chlorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-(2-chloro-5-methylsulfonyl-phenyl)piperidine-3-carboxamide CAS Name: (3S)-N-(2-chloro-5-methylsulfonylphenyl)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-(2-chloro-5-mesyl-phenyl)nipecotamide Formula: C20H20Cl2N2O4S MolecularWeight: 455.3548

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20Cl2N2O4S/c1-29(27,28)16-8-9-17(22)18(11-16)23-19(25)14-3-2-10-24(12-14)20(26)13-4-6-15(21)7-5-13/h4-9,11,14H,2-3,10,12H2,1H3,(H,23,25)/t14-/m0/s1