3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-4-chloranyl-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-4-chloranyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4-chloro-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-4-chloro-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4-chloro-N,N-dimethylbenzenesulfonamide Traditional Name: 4-chloro-N,N-dimethyl-3-(4-piperonylpiperazine-1-carbonyl)benzenesulfonamide Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24ClN3O5S/c1-23(2)31(27,28)16-4-5-18(22)17(12-16)21(26)25-9-7-24(8-10-25)13-15-3-6-19-20(11-15)30-14-29-19/h3-6,11-12H,7-10,13-14H2,1-2H3