N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1S)-1-[(3-methylbutanoylamino)carbamoyl]-3-methylsulfanyl-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-1-[(3-methyl-1-oxobutyl)hydrazo]-4-(methylthio)-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1S)-1-[(isovalerylamino)carbamoyl]-3-(methylthio)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H27N3O6S2 MolecularWeight: 445.55348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=O)C(CCSC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)CC(=O)NNC(=O)[C@H](CCSC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C18H27N3O6S2/c1-12(2)10-17(22)19-20-18(23)14(6-9-28-3)21-29(24,25)13-4-5-15-16(11-13)27-8-7-26-15/h4-5,11-12,14,21H,6-10H2,1-3H3,(H,19,22)(H,20,23)/t14-/m0/s1