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

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-(2-thiophen-2-ylcarbonylhydrazinyl)butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-methylsulfanyl-1-[(thiophene-2-carbonylamino)carbamoyl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[4-(methylthio)-1-oxo-1-[[oxo(thiophen-2-yl)methyl]hydrazo]butan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-(methylthio)-1-[(2-thenoylamino)carbamoyl]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H21N3O6S3 MolecularWeight: 471.57084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC(=O)C1=CC=CS1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSCCC(C(=O)NNC(=O)C1=CC=CS1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H21N3O6S3/c1-28-10-6-13(17(22)19-20-18(23)16-3-2-9-29-16)21-30(24,25)12-4-5-14-15(11-12)27-8-7-26-14/h2-5,9,11,13,21H,6-8,10H2,1H3,(H,19,22)(H,20,23)