N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[2-(1-piperidylmethyl)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[[2-(1-piperidinylmethyl)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-[2-(piperidinomethyl)benzyl]isonipecotamide Formula: C28H39N3O3S MolecularWeight: 497.69256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3CN4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3CN4CCCCC4)C

InChI

InChI=1S/C28H39N3O3S/c1-21-17-22(2)27(23(3)18-21)35(33,34)31-15-11-24(12-16-31)28(32)29-19-25-9-5-6-10-26(25)20-30-13-7-4-8-14-30/h5-6,9-10,17-18,24H,4,7-8,11-16,19-20H2,1-3H3,(H,29,32)