1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine Traditional Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-piperonyl-piperazine Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C23H30N2O4S/c1-15-16(2)18(4)23(19(5)17(15)3)30(26,27)25-10-8-24(9-11-25)13-20-6-7-21-22(12-20)29-14-28-21/h6-7,12H,8-11,13-14H2,1-5H3