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

Systemtic Name: 6-tert-butyl-4-methylsulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-4-methylsulfonyl-N-[2-(phenylmethylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-6-tert-butyl-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S2/c1-23(2,3)18-10-11-20-19(14-18)25(31(4,27)28)15-21(29-20)22(26)24-12-13-30-16-17-8-6-5-7-9-17/h5-11,14,21H,12-13,15-16H2,1-4H3,(H,24,26)