6-methyl-4-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-methyl-4-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-methyl-4-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-methyl-4-methylsulfonyl-N-[2-(phenylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-methyl-4-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-mesyl-6-methyl-N-[2-(phenylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S2/c1-14-8-9-17-16(12-14)21(27(2,23)24)13-18(25-17)19(22)20-10-11-26-15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3,(H,20,22)