1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]propan-1-one

Systemtic Name: 1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]propan-1-one Openeye Name: 1-[2-(4-methoxyphenyl)-3-(p-tolylsulfonyl)hexahydropyrimidin-1-yl]propan-1-one CAS Name: 1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]-1-propanone IUPAC Name: 1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-diazinan-1-yl]propan-1-one Traditional Name: 1-[2-(4-methoxyphenyl)-3-tosyl-hexahydropyrimidin-1-yl]propan-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCN(C1C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(=O)N1CCCN(C1C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N2O4S/c1-4-20(24)22-14-5-15-23(21(22)17-8-10-18(27-3)11-9-17)28(25,26)19-12-6-16(2)7-13-19/h6-13,21H,4-5,14-15H2,1-3H3