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

Systemtic Name: (2R)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-phenyl-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-phenyl-1-pyrrolidino-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)ethanone Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)[C@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C24H31N3O3S/c1-20-10-12-22(13-11-20)31(29,30)27-17-7-16-25(18-19-27)23(21-8-3-2-4-9-21)24(28)26-14-5-6-15-26/h2-4,8-13,23H,5-7,14-19H2,1H3/p+1/t23-/m1/s1