3-[3-[(4-methoxyphenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 3-[3-[(4-methoxyphenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-[3-[(4-methoxyphenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 3-[3-[(4-methoxyphenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-[3-[(4-methoxyphenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 2-keto-3-[3-[(4-methoxyphenyl)sulfonylmethylamino]propyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C23H26N4O8S MolecularWeight: 518.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CCCNCS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)CCCNCS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C23H26N4O8S/c1-15-20(22(28)29)21(16-5-3-6-17(13-16)27(31)32)26(23(30)25-15)12-4-11-24-14-36(33,34)19-9-7-18(35-2)8-10-19/h3,5-10,13,21,24H,4,11-12,14H2,1-2H3,(H,25,30)(H,28,29)