(2S,3S,4S,5R,6R)-6-[(4-aminophenyl)sulfonyl-(6-methoxy-2-methyl-pyrimidin-4-yl)amino]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6R)-6-[(4-aminophenyl)sulfonyl-(6-methoxy-2-methyl-pyrimidin-4-yl)amino]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6R)-6-[(4-aminophenyl)sulfonyl-(6-methoxy-2-methyl-pyrimidin-4-yl)amino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6R)-6-[(4-aminophenyl)sulfonyl-(6-methoxy-2-methyl-4-pyrimidinyl)amino]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6R)-6-[(4-aminophenyl)sulfonyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(6-methoxy-2-methyl-pyrimidin-4-yl)-sulfanilyl-amino]tetrahydropyran-2-carboxylic acid Formula: C18H22N4O9S MolecularWeight: 470.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)OC)N(C2C(C(C(C(O2)C(=O)O)O)O)O)S(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC1=NC(=CC(=N1)OC)N([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C18H22N4O9S/c1-8-20-11(7-12(21-8)30-2)22(32(28,29)10-5-3-9(19)4-6-10)17-15(25)13(23)14(24)16(31-17)18(26)27/h3-7,13-17,23-25H,19H2,1-2H3,(H,26,27)/t13-,14-,15+,16-,17+/m0/s1