1-[1-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-pyrazol-4-yl]sulfonylpiperidine CAS Name: 1-[[1-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-4-pyrazolyl]sulfonyl]piperidine IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine Traditional Name: 1-(3,5-dimethyl-1-piperonyl-pyrazol-4-yl)sulfonylpiperidine Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC3=C(C=C2)OCO3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC3=C(C=C2)OCO3)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C18H23N3O4S/c1-13-18(26(22,23)20-8-4-3-5-9-20)14(2)21(19-13)11-15-6-7-16-17(10-15)25-12-24-16/h6-7,10H,3-5,8-9,11-12H2,1-2H3