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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-diethoxy-4-methyl-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-diethoxy-4-methyl-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-diethoxy-4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-diethoxy-4-methylphenyl)sulfonylpiperazine Traditional Name: 1-(2,5-diethoxy-4-methyl-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C)OCC)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC(=C(C=C1C)OCC)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H30N2O6S/c1-4-28-20-14-23(22(29-5-2)12-17(20)3)32(26,27)25-10-8-24(9-11-25)15-18-6-7-19-21(13-18)31-16-30-19/h6-7,12-14H,4-5,8-11,15-16H2,1-3H3