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

Systemtic Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-piperidin-1-yl-ethanone Openeye Name: 1-[(2S)-2-isopropyl-3-(p-tolylsulfonyl)hexahydropyrimidin-1-yl]-2-(1-piperidyl)ethanone CAS Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-(1-piperidinyl)ethanone IUPAC Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-piperidin-1-ylethanone Traditional Name: 1-[(2S)-2-isopropyl-3-tosyl-hexahydropyrimidin-1-yl]-2-piperidino-ethanone Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C2C(C)C)C(=O)CN3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN([C@@H]2C(C)C)C(=O)CN3CCCCC3

InChI

InChI=1S/C21H33N3O3S/c1-17(2)21-23(20(25)16-22-12-5-4-6-13-22)14-7-15-24(21)28(26,27)19-10-8-18(3)9-11-19/h8-11,17,21H,4-7,12-16H2,1-3H3/t21-/m0/s1