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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-sulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-sulfonamide CAS Name: N-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-thiophenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-sulfonamide Traditional Name: N-[2-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl]thiophene-2-sulfonamide Formula: C23H24N3O5S2+ MolecularWeight: 486.58376

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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=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4NS(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H23N3O5S2/c27-23(18-4-1-2-5-19(18)24-33(28,29)22-6-3-13-32-22)26-11-9-25(10-12-26)15-17-7-8-20-21(14-17)31-16-30-20/h1-8,13-14,24H,9-12,15-16H2/p+1