1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine hydrochloride

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine hydrochloride Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazine hydrochloride CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine hydrochloride IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine hydrochloride Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperonyl-piperazine hydrochloride Formula: C20H25ClN2O4S MolecularWeight: 424.9415

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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)C.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C.Cl

InChI

InChI=1S/C20H24N2O4S.ClH/c1-15-3-5-18(11-16(15)2)27(23,24)22-9-7-21(8-10-22)13-17-4-6-19-20(12-17)26-14-25-19;/h3-6,11-12H,7-10,13-14H2,1-2H3;1H