N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-3-methylsulfanyl-propanamide Openeye Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-3-methylsulfanyl-propanamide CAS Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-3-(methylthio)propanamide IUPAC Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-3-methylsulfanylpropanamide Traditional Name: N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-3-(methylthio)propionamide Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CSCCC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H22N2O5S2/c1-27-12-9-19(22)20-14-3-5-15(6-4-14)21-28(23,24)16-7-8-17-18(13-16)26-11-2-10-25-17/h3-8,13,21H,2,9-12H2,1H3,(H,20,22)