2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(2-thienylmethyl)butanamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-(thiophen-2-ylmethyl)butanamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-(2-thenyl)butyramide Formula: C18H22N2O5S3 MolecularWeight: 442.57268

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CS1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSCCC(C(=O)NCC1=CC=CS1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H22N2O5S3/c1-26-10-6-15(18(21)19-12-13-3-2-9-27-13)20-28(22,23)14-4-5-16-17(11-14)25-8-7-24-16/h2-5,9,11,15,20H,6-8,10,12H2,1H3,(H,19,21)