N-[4-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-1-ium-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidin-1-iumyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-1-ium-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[4-amino-1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyrimidin-1-ium-2-yl]-4-methyl-benzenesulfonamide Formula: C16H21N4O6S+ MolecularWeight: 397.42614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=[N+](C=CC(=N2)N)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=[N+](C=CC(=N2)N)C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C16H20N4O6S/c1-9-2-4-10(5-3-9)27(24,25)19-16-18-12(17)6-7-20(16)15-14(23)13(22)11(8-21)26-15/h2-7,11,13-15,21-23H,8H2,1H3,(H2,17,18,19)/p+1