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

Systemtic Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-(4-methylpiperazin-1-yl)ethanone Openeye Name: 1-[(2S)-2-isopropyl-3-(p-tolylsulfonyl)hexahydropyrimidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone CAS Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-(4-methylpiperazin-1-yl)ethanone Traditional Name: 1-[(2S)-2-isopropyl-3-tosyl-hexahydropyrimidin-1-yl]-2-(4-methylpiperazino)ethanone Formula: C21H34N4O3S MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C2C(C)C)C(=O)CN3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN([C@@H]2C(C)C)C(=O)CN3CCN(CC3)C

InChI

InChI=1S/C21H34N4O3S/c1-17(2)21-24(20(26)16-23-14-12-22(4)13-15-23)10-5-11-25(21)29(27,28)19-8-6-18(3)7-9-19/h6-9,17,21H,5,10-16H2,1-4H3/t21-/m0/s1