3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethylsulfonyl]propanamide

Systemtic Name: 3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethylsulfonyl]propanamide Openeye Name: 3-[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethylsulfonyl]propanamide CAS Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethylsulfonyl]propanamide IUPAC Name: 3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethylsulfonyl]propanamide Traditional Name: 3-[2-(4-tosylpiperazin-1-ium-1-yl)ethylsulfonyl]propionamide Formula: C16H26N3O5S2+ MolecularWeight: 404.52474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCS(=O)(=O)CCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCS(=O)(=O)CCC(=O)N

InChI

InChI=1S/C16H25N3O5S2/c1-14-2-4-15(5-3-14)26(23,24)19-9-7-18(8-10-19)11-13-25(21,22)12-6-16(17)20/h2-5H,6-13H2,1H3,(H2,17,20)/p+1