1-methylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-methylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide CAS Name: 1-methylsulfonyl-N-[2-[oxo-(1-phenylethylamino)methyl]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-mesyl-N-[2-(1-phenylethylcarbamoyl)phenyl]nipecotamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O4S/c1-16(17-9-4-3-5-10-17)23-22(27)19-12-6-7-13-20(19)24-21(26)18-11-8-14-25(15-18)30(2,28)29/h3-7,9-10,12-13,16,18H,8,11,14-15H2,1-2H3,(H,23,27)(H,24,26)