N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-methyl-2-(p-tolylazo)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-methyl-2-(4-methylphenyl)azophenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[4-methyl-2-(p-tolylazo)phenyl]isonipecotamide Formula: C21H26N4O3S MolecularWeight: 414.52114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=C(C=CC(=C2)C)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=C(C=CC(=C2)C)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H26N4O3S/c1-15-4-7-18(8-5-15)23-24-20-14-16(2)6-9-19(20)22-21(26)17-10-12-25(13-11-17)29(3,27)28/h4-9,14,17H,10-13H2,1-3H3,(H,22,26)