2-morpholin-4-ium-4-yl-1-[(2S)-2-phenyl-3-(phenylsulfonyl)-1,3-diazinan-1-yl]ethanone

Systemtic Name: 2-morpholin-4-ium-4-yl-1-[(2S)-2-phenyl-3-(phenylsulfonyl)-1,3-diazinan-1-yl]ethanone Openeye Name: 1-[(2S)-3-(benzenesulfonyl)-2-phenyl-hexahydropyrimidin-1-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[(2S)-3-(benzenesulfonyl)-2-phenyl-1,3-diazinan-1-yl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(2S)-3-(benzenesulfonyl)-2-phenyl-1,3-diazinan-1-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[(2S)-3-besyl-2-phenyl-hexahydropyrimidin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C[NH+]4CCOCC4

Isomeric SMILES

C1CN([C@@H](N(C1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C22H27N3O4S/c26-21(18-23-14-16-29-17-15-23)24-12-7-13-25(22(24)19-8-3-1-4-9-19)30(27,28)20-10-5-2-6-11-20/h1-6,8-11,22H,7,12-18H2/p+1/t22-/m0/s1