5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1-methylsulfonyl-2,3-dihydroindole

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1-methylsulfonyl-2,3-dihydroindole Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1-methylsulfonyl-indoline CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-1-methylsulfonyl-2,3-dihydroindole IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1-methylsulfonyl-2,3-dihydroindole Traditional Name: 1-mesyl-5-(4-piperonylpiperazin-4-ium-1-yl)sulfonyl-indoline Formula: C21H26N3O6S2+ MolecularWeight: 480.57764

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H25N3O6S2/c1-31(25,26)24-7-6-17-13-18(3-4-19(17)24)32(27,28)23-10-8-22(9-11-23)14-16-2-5-20-21(12-16)30-15-29-20/h2-5,12-13H,6-11,14-15H2,1H3/p+1