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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-diethoxyphenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-diethoxyphenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine Traditional Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-piperonyl-piperazine Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC

InChI

InChI=1S/C22H28N2O6S/c1-3-27-19-8-6-18(14-22(19)28-4-2)31(25,26)24-11-9-23(10-12-24)15-17-5-7-20-21(13-17)30-16-29-20/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3