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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CS(=O)(=O)NC1=CC(=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl

InChI

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