N-(1,3-benzodioxol-5-yl)-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C23H24N3O5S2+ MolecularWeight: 486.58376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC5=C(C=C4)OCO5

InChI

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