6-methyl-4-methylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-methyl-4-methylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-methyl-4-methylsulfonyl-N-[2-(phenylmethylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-6-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-4-mesyl-6-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4S2/c1-15-8-9-18-17(12-15)22(28(2,24)25)13-19(26-18)20(23)21-10-11-27-14-16-6-4-3-5-7-16/h3-9,12,19H,10-11,13-14H2,1-2H3,(H,21,23)