1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine hydrochloride

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine hydrochloride Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine hydrochloride CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine hydrochloride IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methyl-3-nitrophenyl)sulfonylpiperazine hydrochloride Traditional Name: 1-(4-methyl-3-nitro-phenyl)sulfonyl-4-piperonyl-piperazine hydrochloride Formula: C19H22ClN3O6S MolecularWeight: 455.91248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-].Cl

InChI

InChI=1S/C19H21N3O6S.ClH/c1-14-2-4-16(11-17(14)22(23)24)29(25,26)21-8-6-20(7-9-21)12-15-3-5-18-19(10-15)28-13-27-18;/h2-5,10-11H,6-9,12-13H2,1H3;1H