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

Systemtic Name: 6-tert-butyl-4-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-tert-butyl-4-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-4-methylsulfonyl-N-[2-(phenylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-tert-butyl-4-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-tert-butyl-4-mesyl-N-[2-(phenylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S2/c1-22(2,3)16-10-11-19-18(14-16)24(30(4,26)27)15-20(28-19)21(25)23-12-13-29-17-8-6-5-7-9-17/h5-11,14,20H,12-13,15H2,1-4H3,(H,23,25)