N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-methyl-N-[[2-(1-pyrrolidinyl)phenyl]methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-methyl-N-(2-pyrrolidinobenzyl)-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C28H39N3O3S MolecularWeight: 497.69256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=CC=C3N4CCCC4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=CC=C3N4CCCC4)C)C

InChI

InChI=1S/C28H39N3O3S/c1-20-18-21(2)23(4)27(22(20)3)35(33,34)31-16-12-24(13-17-31)28(32)29(5)19-25-10-6-7-11-26(25)30-14-8-9-15-30/h6-7,10-11,18,24H,8-9,12-17,19H2,1-5H3