N-[2-(4-methylphenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(p-tolyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-methylphenyl)ethyl]-1-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(p-tolyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-isonipecotamide Formula: C21H30N4O3S MolecularWeight: 418.5529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(N(N=C3C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(N(N=C3C)C)C

InChI

InChI=1S/C21H30N4O3S/c1-15-5-7-18(8-6-15)9-12-22-21(26)19-10-13-25(14-11-19)29(27,28)20-16(2)23-24(4)17(20)3/h5-8,19H,9-14H2,1-4H3,(H,22,26)