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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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