1,3-bis[(4-methoxyphenyl)sulfonyl]-5-oxidanyl-1,3-diazinane-2-carboxylic acid

Systemtic Name: 1,3-bis[(4-methoxyphenyl)sulfonyl]-5-oxidanyl-1,3-diazinane-2-carboxylic acid Openeye Name: 5-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]hexahydropyrimidine-2-carboxylic acid CAS Name: 5-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-1,3-diazinane-2-carboxylic acid IUPAC Name: 5-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-1,3-diazinane-2-carboxylic acid Traditional Name: 5-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]hexahydropyrimidine-2-carboxylic acid Formula: C19H22N2O9S2 MolecularWeight: 486.51598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC(CN(C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC(CN(C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C19H22N2O9S2/c1-29-14-3-7-16(8-4-14)31(25,26)20-11-13(22)12-21(18(20)19(23)24)32(27,28)17-9-5-15(30-2)6-10-17/h3-10,13,18,22H,11-12H2,1-2H3,(H,23,24)