N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-piperonylamide Formula: C21H26N3O6S+ MolecularWeight: 448.51264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O6S/c1-28-17-3-5-18(6-4-17)31(26,27)24-12-10-23(11-13-24)9-8-22-21(25)16-2-7-19-20(14-16)30-15-29-19/h2-7,14H,8-13,15H2,1H3,(H,22,25)/p+1