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

Systemtic Name: 2-methyl-5-nitro-N-[2-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)thio]ethyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]benzenesulfonamide Traditional Name: N-[2-[(3-keto-4H-1,4-benzothiazin-2-yl)thio]ethyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C17H17N3O5S3 MolecularWeight: 439.52898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCSC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCSC2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C17H17N3O5S3/c1-11-6-7-12(20(22)23)10-15(11)28(24,25)18-8-9-26-17-16(21)19-13-4-2-3-5-14(13)27-17/h2-7,10,17-18H,8-9H2,1H3,(H,19,21)