4-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[(4-tosyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine Formula: C23H32N3O5S2+ MolecularWeight: 494.64728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H31N3O5S2/c1-20-6-8-22(9-7-20)32(27,28)25-11-3-10-24(12-13-25)19-21-4-2-5-23(18-21)33(29,30)26-14-16-31-17-15-26/h2,4-9,18H,3,10-17,19H2,1H3/p+1