1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxy-4-methyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxy-4-methyl-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxy-4-methyl-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazine Traditional Name: 1-(2,5-dimethoxy-4-methyl-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=CC(=C(C=C1OC)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H26N2O6S/c1-15-10-20(27-3)21(12-18(15)26-2)30(24,25)23-8-6-22(7-9-23)13-16-4-5-17-19(11-16)29-14-28-17/h4-5,10-12H,6-9,13-14H2,1-3H3