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

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(4-iodophenyl)sulfonyl-piperidine Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(4-iodophenyl)sulfonyl-piperidine CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(4-iodophenyl)sulfonylpiperidine IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(4-iodophenyl)sulfonylpiperidine Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(4-iodophenyl)sulfonyl-piperidine Formula: C21H20IN3O4S MolecularWeight: 537.37067

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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=C(C=C5)I

Isomeric SMILES

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

InChI

InChI=1S/C21H20IN3O4S/c22-16-2-4-17(5-3-16)30(26,27)25-9-7-14(8-10-25)18-12-19(24-23-18)15-1-6-20-21(11-15)29-13-28-20/h1-6,11-12,14H,7-10,13H2,(H,23,24)