4-[2-ethyl-5-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]piperidine

Systemtic Name: 4-[2-ethyl-5-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]piperidine Openeye Name: 4-[2-ethyl-5-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]piperidine CAS Name: 4-[2-ethyl-5-[(4-methylsulfonylphenyl)methyl]-3-pyrazolyl]piperidine IUPAC Name: 4-[2-ethyl-5-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]piperidine Traditional Name: 4-[2-ethyl-5-(4-mesylbenzyl)pyrazol-3-yl]piperidine Formula: C18H25N3O2S MolecularWeight: 347.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)CC2=CC=C(C=C2)S(=O)(=O)C)C3CCNCC3

Isomeric SMILES

CCN1C(=CC(=N1)CC2=CC=C(C=C2)S(=O)(=O)C)C3CCNCC3

InChI

InChI=1S/C18H25N3O2S/c1-3-21-18(15-8-10-19-11-9-15)13-16(20-21)12-14-4-6-17(7-5-14)24(2,22)23/h4-7,13,15,19H,3,8-12H2,1-2H3