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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(p-tolylsulfanyl)ethyl]propanamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-[(4-methylphenyl)thio]ethyl]propanamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(p-tolylthio)ethyl]propionamide Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S2/c1-15-2-4-16(5-3-15)27-12-9-21-20(22)8-13-28(23,24)17-6-7-18-19(14-17)26-11-10-25-18/h2-7,14H,8-13H2,1H3,(H,21,22)