N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-N-piperonyl-acetamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O5S/c1-16-3-4-17(2)21(11-16)31(27,28)25-9-7-24(8-10-25)14-22(26)23-13-18-5-6-19-20(12-18)30-15-29-19/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,23,26)