N-[(4-methylphenyl)methyl]-1-propylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-1-propylsulfonyl-piperidine-3-carboxamide Openeye Name: 1-propylsulfonyl-N-(p-tolylmethyl)piperidine-3-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-propylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4-methylbenzyl)-1-propylsulfonyl-nipecotamide Formula: C17H26N2O3S MolecularWeight: 338.46494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C17H26N2O3S/c1-3-11-23(21,22)19-10-4-5-16(13-19)17(20)18-12-15-8-6-14(2)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3,(H,18,20)