3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-[[4-(methylthio)phenyl]methyl]propanamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methyl-N-[4-(methylthio)benzyl]propionamide Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H23NO5S2/c1-21(14-15-3-5-16(27-2)6-4-15)20(22)9-12-28(23,24)17-7-8-18-19(13-17)26-11-10-25-18/h3-8,13H,9-12,14H2,1-2H3