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

Systemtic Name: 4-methylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-methylsulfonyl-N-[2-(phenylmethylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S2/c1-27(23,24)21-13-18(25-17-10-6-5-9-16(17)21)19(22)20-11-12-26-14-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,20,22)