4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[[4-(methylthio)phenyl]methyl]butanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]butanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-methyl-N-[4-(methylthio)benzyl]butyramide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H28N2O5S2/c1-24(16-17-6-8-18(30-2)9-7-17)22(25)5-3-12-23-31(26,27)19-10-11-20-21(15-19)29-14-4-13-28-20/h6-11,15,23H,3-5,12-14,16H2,1-2H3