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

Systemtic Name: N-(3-methylsulfanylphenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-(3-methylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(3-methylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[3-(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(=C1)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

InChI

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