1-(1,3-benzodioxol-5-ylmethyl)-4-(1-ethylpyrazol-4-yl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-ethylpyrazol-4-yl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-ethylpyrazol-4-yl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-ethyl-4-pyrazolyl)sulfonyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine Traditional Name: 1-(1-ethylpyrazol-4-yl)sulfonyl-4-piperonyl-piperazine Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H22N4O4S/c1-2-20-12-15(10-18-20)26(22,23)21-7-5-19(6-8-21)11-14-3-4-16-17(9-14)25-13-24-16/h3-4,9-10,12H,2,5-8,11,13H2,1H3