6-chloranyl-4-ethanoyl-N-(3-methylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

Systemtic Name: 6-chloranyl-4-ethanoyl-N-(3-methylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide Openeye Name: 4-acetyl-6-chloro-N-(3-methylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide CAS Name: 4-acetyl-6-chloro-N-[3-(methylthio)phenyl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide IUPAC Name: 4-acetyl-6-chloro-N-(3-methylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide Traditional Name: 4-acetyl-6-chloro-N-[3-(methylthio)phenyl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide Formula: C17H17ClN2O4S2 MolecularWeight: 412.91088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCOC2=CC(=C(C=C21)Cl)S(=O)(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC(=O)N1CCOC2=CC(=C(C=C21)Cl)S(=O)(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C17H17ClN2O4S2/c1-11(21)20-6-7-24-16-10-17(14(18)9-15(16)20)26(22,23)19-12-4-3-5-13(8-12)25-2/h3-5,8-10,19H,6-7H2,1-2H3