4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(2-nitrophenyl)sulfonyl-piperidine

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(2-nitrophenyl)sulfonyl-piperidine Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(2-nitrophenyl)sulfonyl-piperidine CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(2-nitrophenyl)sulfonylpiperidine IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(2-nitrophenyl)sulfonylpiperidine Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(2-nitrophenyl)sulfonyl-piperidine Formula: C21H20N4O6S MolecularWeight: 456.4717

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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[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6S/c26-25(27)18-3-1-2-4-21(18)32(28,29)24-9-7-14(8-10-24)16-12-17(23-22-16)15-5-6-19-20(11-15)31-13-30-19/h1-6,11-12,14H,7-10,13H2,(H,22,23)