N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-(2-pyrazin-2-ylcarbonylhydrazinyl)butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-(2-pyrazin-2-ylcarbonylhydrazinyl)butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1R)-3-methylsulfanyl-1-[(pyrazine-2-carbonylamino)carbamoyl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2R)-4-(methylthio)-1-oxo-1-[[oxo(2-pyrazinyl)methyl]hydrazo]butan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(pyrazine-2-carbonyl)hydrazinyl]butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1R)-3-(methylthio)-1-[(pyrazinoylamino)carbamoyl]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H21N5O6S2 MolecularWeight: 467.51924

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC(=O)C1=NC=CN=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSCC[C@H](C(=O)NNC(=O)C1=NC=CN=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H21N5O6S2/c1-30-9-4-13(17(24)21-22-18(25)14-11-19-5-6-20-14)23-31(26,27)12-2-3-15-16(10-12)29-8-7-28-15/h2-3,5-6,10-11,13,23H,4,7-9H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1