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

Systemtic Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-pyrrolidin-1-yl-ethanone Openeye Name: 1-[(2S)-2-isopropyl-3-(p-tolylsulfonyl)hexahydropyrimidin-1-yl]-2-pyrrolidin-1-yl-ethanone CAS Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-(1-pyrrolidinyl)ethanone IUPAC Name: 1-[(2S)-3-(4-methylphenyl)sulfonyl-2-propan-2-yl-1,3-diazinan-1-yl]-2-pyrrolidin-1-ylethanone Traditional Name: 1-[(2S)-2-isopropyl-3-tosyl-hexahydropyrimidin-1-yl]-2-pyrrolidino-ethanone Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(C2C(C)C)C(=O)CN3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN([C@@H]2C(C)C)C(=O)CN3CCCC3

InChI

InChI=1S/C20H31N3O3S/c1-16(2)20-22(19(24)15-21-11-4-5-12-21)13-6-14-23(20)27(25,26)18-9-7-17(3)8-10-18/h7-10,16,20H,4-6,11-15H2,1-3H3/t20-/m0/s1