N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-esyl-isonipecotamide Formula: C21H30N4O3S MolecularWeight: 418.5529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

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