6-methoxy-6-methyl-4-(3-nitrophenyl)-2-(phenylsulfonyl)-1,3-diazinane-1-carboxylic acid

Systemtic Name: 6-methoxy-6-methyl-4-(3-nitrophenyl)-2-(phenylsulfonyl)-1,3-diazinane-1-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-6-methoxy-6-methyl-4-(3-nitrophenyl)hexahydropyrimidine-1-carboxylic acid CAS Name: 2-(benzenesulfonyl)-6-methoxy-6-methyl-4-(3-nitrophenyl)-1,3-diazinane-1-carboxylic acid IUPAC Name: 2-(benzenesulfonyl)-6-methoxy-6-methyl-4-(3-nitrophenyl)-1,3-diazinane-1-carboxylic acid Traditional Name: 2-besyl-6-methoxy-6-methyl-4-(3-nitrophenyl)hexahydropyrimidine-1-carboxylic acid Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(NC(N1C(=O)O)S(=O)(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1(CC(NC(N1C(=O)O)S(=O)(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O7S/c1-19(29-2)12-16(13-7-6-8-14(11-13)22(25)26)20-17(21(19)18(23)24)30(27,28)15-9-4-3-5-10-15/h3-11,16-17,20H,12H2,1-2H3,(H,23,24)