4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(phenylsulfonyl)piperidine

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(phenylsulfonyl)piperidine Openeye Name: 1-(benzenesulfonyl)-4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]piperidine CAS Name: 1-(benzenesulfonyl)-4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]piperidine IUPAC Name: 1-(benzenesulfonyl)-4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]piperidine Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-besyl-piperidine Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C21H21N3O4S/c25-29(26,17-4-2-1-3-5-17)24-10-8-15(9-11-24)18-13-19(23-22-18)16-6-7-20-21(12-16)28-14-27-20/h1-7,12-13,15H,8-11,14H2,(H,22,23)