3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethylsulfonyl]propanamide

Systemtic Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethylsulfonyl]propanamide Openeye Name: 3-[2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]ethylsulfonyl]propanamide CAS Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethylsulfonyl]propanamide IUPAC Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethylsulfonyl]propanamide Traditional Name: 3-[2-(4-tosyl-1,4-diazepan-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)S(=O)(=O)N2CCC[NH+](CC2)CCS(=O)(=O)CCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CCS(=O)(=O)CCC(=O)N

InChI

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