N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-5-chloranyl-thiophene-2-sulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-5-chloranyl-thiophene-2-sulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-5-chloro-thiophene-2-sulfonamide CAS Name: N-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-5-chloro-2-thiophenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-5-chlorothiophene-2-sulfonamide Traditional Name: 5-chloro-N-[2-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl]thiophene-2-sulfonamide Formula: C23H23ClN3O5S2+ MolecularWeight: 521.02882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4NS(=O)(=O)C5=CC=C(S5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4NS(=O)(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C23H22ClN3O5S2/c24-21-7-8-22(33-21)34(29,30)25-18-4-2-1-3-17(18)23(28)27-11-9-26(10-12-27)14-16-5-6-19-20(13-16)32-15-31-19/h1-8,13,25H,9-12,14-15H2/p+1