1,3-benzodioxol-5-yl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(3,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H22N2O5S/c1-14-3-5-17(11-15(14)2)28(24,25)22-9-7-21(8-10-22)20(23)16-4-6-18-19(12-16)27-13-26-18/h3-6,11-12H,7-10,13H2,1-2H3