3-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethylsulfonyl]propanamide

Systemtic Name: 3-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethylsulfonyl]propanamide Openeye Name: 3-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethylsulfonyl]propanamide CAS Name: 3-[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]ethylsulfonyl]propanamide IUPAC Name: 3-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethylsulfonyl]propanamide Traditional Name: 3-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethylsulfonyl]propionamide Formula: C17H28N3O5S2+ MolecularWeight: 418.55132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O5S2/c1-14-3-4-15(2)16(13-14)27(24,25)20-8-6-19(7-9-20)10-12-26(22,23)11-5-17(18)21/h3-4,13H,5-12H2,1-2H3,(H2,18,21)/p+1