1-[(2S)-2-phenyl-3-(phenylsulfonyl)-1,3-diazinan-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(2S)-2-phenyl-3-(phenylsulfonyl)-1,3-diazinan-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(2S)-3-(benzenesulfonyl)-2-phenyl-hexahydropyrimidin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(2S)-3-(benzenesulfonyl)-2-phenyl-1,3-diazinan-1-yl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(2S)-3-(benzenesulfonyl)-2-phenyl-1,3-diazinan-1-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(2S)-3-besyl-2-phenyl-hexahydropyrimidin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)N2CCCN(C2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N2CCCN([C@H]2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c26-21(18-23-14-7-8-15-23)24-16-9-17-25(22(24)19-10-3-1-4-11-19)29(27,28)20-12-5-2-6-13-20/h1-6,10-13,22H,7-9,14-18H2/p+1/t22-/m0/s1