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

Systemtic Name: N-[(2-chlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-chlorobenzyl)-1-mesitylsulfonyl-isonipecotamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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=C3Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl)C

InChI

InChI=1S/C22H27ClN2O3S/c1-15-12-16(2)21(17(3)13-15)29(27,28)25-10-8-18(9-11-25)22(26)24-14-19-6-4-5-7-20(19)23/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,26)