3-(4-methylphenyl)sulfonyl-4-(3-nitrophenyl)-6-propan-2-yl-1,4-dihydropyrimidin-2-one

Systemtic Name: 3-(4-methylphenyl)sulfonyl-4-(3-nitrophenyl)-6-propan-2-yl-1,4-dihydropyrimidin-2-one Openeye Name: 6-isopropyl-4-(3-nitrophenyl)-3-(p-tolylsulfonyl)-1,4-dihydropyrimidin-2-one CAS Name: 3-(4-methylphenyl)sulfonyl-4-(3-nitrophenyl)-6-propan-2-yl-1,4-dihydropyrimidin-2-one IUPAC Name: 3-(4-methylphenyl)sulfonyl-4-(3-nitrophenyl)-6-propan-2-yl-1,4-dihydropyrimidin-2-one Traditional Name: 6-isopropyl-4-(3-nitrophenyl)-3-tosyl-1,4-dihydropyrimidin-2-one Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C=C(NC2=O)C(C)C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C=C(NC2=O)C(C)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-13(2)18-12-19(15-5-4-6-16(11-15)23(25)26)22(20(24)21-18)29(27,28)17-9-7-14(3)8-10-17/h4-13,19H,1-3H3,(H,21,24)