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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanylbutanamide Traditional Name: N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)butyramide Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSCCC(C(=O)NCC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H24N2O5S2/c1-28-12-9-17(20(23)21-14-15-5-3-2-4-6-15)22-29(24,25)16-7-8-18-19(13-16)27-11-10-26-18/h2-8,13,17,22H,9-12,14H2,1H3,(H,21,23)