1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[(2S)-2-isopropyl-3-(p-tolylsulfonyl)hexahydropyrimidin-1-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[(2S)-2-isopropyl-3-tosyl-hexahydropyrimidin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C2C(C)C)C(=O)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN([C@@H]2C(C)C)C(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C20H31N3O4S/c1-16(2)20-22(19(24)15-21-11-13-27-14-12-21)9-4-10-23(20)28(25,26)18-7-5-17(3)6-8-18/h5-8,16,20H,4,9-15H2,1-3H3/p+1/t20-/m0/s1