5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-chloranyl-N-methyl-benzenesulfonamide

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-chloranyl-N-methyl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-chloro-N-methyl-benzenesulfonamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-chloro-N-methylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-chloro-N-methylbenzenesulfonamide Traditional Name: 2-chloro-N-methyl-5-(4-piperonylpiperazine-1-carbonyl)benzenesulfonamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5S/c1-22-30(26,27)19-11-15(3-4-16(19)21)20(25)24-8-6-23(7-9-24)12-14-2-5-17-18(10-14)29-13-28-17/h2-5,10-11,22H,6-9,12-13H2,1H3