2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 1-morpholino-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]ethanone CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 1-morpholino-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)ethanone Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C18H27N3O4S/c1-16-3-5-17(6-4-16)26(23,24)21-8-2-7-19(9-10-21)15-18(22)20-11-13-25-14-12-20/h3-6H,2,7-15H2,1H3/p+1