3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2-methyl-6-methylsulfonyl-3H-isoindol-1-one

Systemtic Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxidanylidene-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2-methyl-6-methylsulfonyl-3H-isoindol-1-one Openeye Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxohexahydropyrimidin-1-yl)-1-piperidyl]propyl]-2-methyl-6-methylsulfonyl-isoindolin-1-one CAS Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)-1-piperidinyl]propyl]-2-methyl-6-methylsulfonyl-3H-isoindol-1-one IUPAC Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]propyl]-2-methyl-6-methylsulfonyl-3H-isoindol-1-one Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-[4-(2-ketohexahydropyrimidin-1-yl)piperidino]propyl]-6-mesyl-2-methyl-isoindolin-1-one Formula: C28H34Cl2N4O4S MolecularWeight: 593.56496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2=C(C1=O)C=C(C=C2)S(=O)(=O)C)C(CCN3CCC(CC3)N4CCCNC4=O)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CN1C(C2=C(C1=O)C=C(C=C2)S(=O)(=O)C)C(CCN3CCC(CC3)N4CCCNC4=O)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C28H34Cl2N4O4S/c1-32-26(22-6-5-20(39(2,37)38)17-23(22)27(32)35)21(18-4-7-24(29)25(30)16-18)10-15-33-13-8-19(9-14-33)34-12-3-11-31-28(34)36/h4-7,16-17,19,21,26H,3,8-15H2,1-2H3,(H,31,36)