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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-[2,5-bis(chloranyl)phenyl]benzenesulfonamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(2,5-dichlorophenyl)benzenesulfonamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N-(2,5-dichlorophenyl)benzenesulfonamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(2,5-dichlorophenyl)benzenesulfonamide Traditional Name: N-(2,5-dichlorophenyl)-3-(4-piperonylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C25H24Cl2N3O5S+ MolecularWeight: 549.44616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=C(C=CC(=C5)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=C(C=CC(=C5)Cl)Cl

InChI

InChI=1S/C25H23Cl2N3O5S/c26-19-5-6-21(27)22(14-19)28-36(32,33)20-3-1-2-18(13-20)25(31)30-10-8-29(9-11-30)15-17-4-7-23-24(12-17)35-16-34-23/h1-7,12-14,28H,8-11,15-16H2/p+1