1-(4-methylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide Openeye Name: N-[(1-phenylpyrazol-4-yl)methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[(1-phenyl-4-pyrazolyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide Traditional Name: N-[(1-phenylpyrazol-4-yl)methyl]-1-tosyl-isonipecotamide Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-18-7-9-22(10-8-18)31(29,30)26-13-11-20(12-14-26)23(28)24-15-19-16-25-27(17-19)21-5-3-2-4-6-21/h2-10,16-17,20H,11-15H2,1H3,(H,24,28)