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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-phenethyl-butanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-phenethyl-butanamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-phenethylbutanamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-N-phenethylbutanamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)-N-phenethyl-butyramide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSCCC(C(=O)NCCC1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H26N2O5S2/c1-29-14-10-18(21(24)22-11-9-16-5-3-2-4-6-16)23-30(25,26)17-7-8-19-20(15-17)28-13-12-27-19/h2-8,15,18,23H,9-14H2,1H3,(H,22,24)