N-[(1S)-3-methyl-1-phenyl-butyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(1S)-3-methyl-1-phenyl-butyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-3-methyl-1-phenyl-butyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(1S)-3-methyl-1-phenylbutyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(1S)-3-methyl-1-phenylbutyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-3-methyl-1-phenyl-butyl]-1-tosyl-isonipecotamide Formula: C24H32N2O3S MolecularWeight: 428.58748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H32N2O3S/c1-18(2)17-23(20-7-5-4-6-8-20)25-24(27)21-13-15-26(16-14-21)30(28,29)22-11-9-19(3)10-12-22/h4-12,18,21,23H,13-17H2,1-3H3,(H,25,27)/t23-/m0/s1