2-chloranyl-1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-diazinan-1-yl]ethanone

Systemtic Name: 2-chloranyl-1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-diazinan-1-yl]ethanone Openeye Name: 2-chloro-1-[(2S)-2-phenyl-3-(p-tolylsulfonyl)hexahydropyrimidin-1-yl]ethanone CAS Name: 2-chloro-1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-diazinan-1-yl]ethanone IUPAC Name: 2-chloro-1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-diazinan-1-yl]ethanone Traditional Name: 2-chloro-1-[(2S)-2-phenyl-3-tosyl-hexahydropyrimidin-1-yl]ethanone Formula: C19H21ClN2O3S MolecularWeight: 392.89964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C2C3=CC=CC=C3)C(=O)CCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN([C@@H]2C3=CC=CC=C3)C(=O)CCl

InChI

InChI=1S/C19H21ClN2O3S/c1-15-8-10-17(11-9-15)26(24,25)22-13-5-12-21(18(23)14-20)19(22)16-6-3-2-4-7-16/h2-4,6-11,19H,5,12-14H2,1H3/t19-/m0/s1