6-chloranyl-3-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-4H-1,4-benzoxazine-7-sulfonamide

Systemtic Name: 6-chloranyl-3-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-4H-1,4-benzoxazine-7-sulfonamide Openeye Name: N-(2-benzylsulfanylethyl)-6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonamide CAS Name: 6-chloro-3-oxo-N-[2-(phenylmethylthio)ethyl]-4H-1,4-benzoxazine-7-sulfonamide IUPAC Name: N-(2-benzylsulfanylethyl)-6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonamide Traditional Name: N-[2-(benzylthio)ethyl]-6-chloro-3-keto-4H-1,4-benzoxazine-7-sulfonamide Formula: C17H17ClN2O4S2 MolecularWeight: 412.91088

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)NCCSCC3=CC=CC=C3)Cl

Isomeric SMILES

C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)NCCSCC3=CC=CC=C3)Cl

InChI

InChI=1S/C17H17ClN2O4S2/c18-13-8-14-15(24-10-17(21)20-14)9-16(13)26(22,23)19-6-7-25-11-12-4-2-1-3-5-12/h1-5,8-9,19H,6-7,10-11H2,(H,20,21)