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

Systemtic Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: (2S)-1-morpholino-2-phenyl-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]ethanone CAS Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: (2S)-1-morpholino-2-phenyl-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)ethanone Formula: C24H32N3O4S+ MolecularWeight: 458.59358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-20-8-10-22(11-9-20)32(29,30)27-13-5-12-25(14-15-27)23(21-6-3-2-4-7-21)24(28)26-16-18-31-19-17-26/h2-4,6-11,23H,5,12-19H2,1H3/p+1/t23-/m0/s1