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

Systemtic Name: N-(2-methylsulfanylphenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-(2-methylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-(methylthio)phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(2-methylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[2-(methylthio)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S2/c1-30-22-14-8-5-11-18(22)24-23(26)21-15-25(19-12-6-7-13-20(19)29-21)31(27,28)16-17-9-3-2-4-10-17/h2-14,21H,15-16H2,1H3,(H,24,26)