1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(phenethylcarbamoyl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(phenethylcarbamoyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(phenethylcarbamoyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-[oxo-(phenethylamino)methyl]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(phenethylcarbamoyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(3,4-dichlorobenzyl)sulfonyl-N-[2-(phenethylcarbamoyl)phenyl]nipecotamide Formula: C28H29Cl2N3O4S MolecularWeight: 574.51856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H29Cl2N3O4S/c29-24-13-12-21(17-25(24)30)19-38(36,37)33-16-6-9-22(18-33)27(34)32-26-11-5-4-10-23(26)28(35)31-15-14-20-7-2-1-3-8-20/h1-5,7-8,10-13,17,22H,6,9,14-16,18-19H2,(H,31,35)(H,32,34)