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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine Traditional Name: 1-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15-10-20(26-3)21(11-16(15)2)29(24,25)23-8-6-22(7-9-23)13-17-4-5-18-19(12-17)28-14-27-18/h4-5,10-12H,6-9,13-14H2,1-3H3