4-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-N-[2-(p-tolylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-[2-[(4-methylphenyl)thio]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-esyl-N-[2-(p-tolylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C20H24N2O4S2/c1-3-28(24,25)22-14-19(26-18-7-5-4-6-17(18)22)20(23)21-12-13-27-16-10-8-15(2)9-11-16/h4-11,19H,3,12-14H2,1-2H3,(H,21,23)