5-bromanyl-2-methoxy-N-[2-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]benzenesulfonamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[2-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]benzenesulfonamide Openeye Name: 5-bromo-2-methoxy-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]benzenesulfonamide CAS Name: 5-bromo-2-methoxy-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)thio]ethyl]benzenesulfonamide IUPAC Name: 5-bromo-2-methoxy-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]benzenesulfonamide Traditional Name: 5-bromo-N-[2-[(3-keto-4H-1,4-benzothiazin-2-yl)thio]ethyl]-2-methoxy-benzenesulfonamide Formula: C17H17BrN2O4S3 MolecularWeight: 489.42688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCSC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCSC2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C17H17BrN2O4S3/c1-24-13-7-6-11(18)10-15(13)27(22,23)19-8-9-25-17-16(21)20-12-4-2-3-5-14(12)26-17/h2-7,10,17,19H,8-9H2,1H3,(H,20,21)