1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazine Traditional Name: 1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C)C)OC

InChI

InChI=1S/C22H28N2O5S/c1-15-11-20(27-4)16(2)17(3)22(15)30(25,26)24-9-7-23(8-10-24)13-18-5-6-19-21(12-18)29-14-28-19/h5-6,11-12H,7-10,13-14H2,1-4H3