N-(2-tert-butylsulfanylethyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(2-tert-butylsulfanylethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[2-(tert-butylthio)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)SCCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S2/c1-22(2,3)29-14-13-23-21(25)20-15-24(18-11-7-8-12-19(18)28-20)30(26,27)16-17-9-5-4-6-10-17/h4-12,20H,13-16H2,1-3H3,(H,23,25)