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

Systemtic Name: 6-chloranyl-N-[2-(4-methylphenyl)sulfanylethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-chloro-4-methylsulfonyl-N-[2-(p-tolylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-chloro-N-[2-[(4-methylphenyl)thio]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-chloro-N-[2-(4-methylphenyl)sulfanylethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-chloro-4-mesyl-N-[2-(p-tolylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C19H21ClN2O4S2 MolecularWeight: 440.96404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H21ClN2O4S2/c1-13-3-6-15(7-4-13)27-10-9-21-19(23)18-12-22(28(2,24)25)16-11-14(20)5-8-17(16)26-18/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)