2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: 2,4-dimethoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide Formula: C22H30N3O6S+ MolecularWeight: 464.5551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6S/c1-29-17-4-7-19(8-5-17)32(27,28)25-14-12-24(13-15-25)11-10-23-22(26)20-9-6-18(30-2)16-21(20)31-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)/p+1