(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methyl-4-methylsulfanyl-N-(p-tolylmethyl)butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methyl-N-[(4-methylphenyl)methyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methyl-N-(4-methylbenzyl)-4-(methylthio)butyramide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C(=O)[C@H](CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H28N2O5S2/c1-16-4-6-17(7-5-16)15-24(2)22(25)19(10-13-30-3)23-31(26,27)18-8-9-20-21(14-18)29-12-11-28-20/h4-9,14,19,23H,10-13,15H2,1-3H3/t19-/m0/s1