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

Systemtic Name: 4-nitro-N-[2-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]benzenesulfonamide Openeye Name: 4-nitro-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)sulfanyl]ethyl]benzenesulfonamide CAS Name: 4-nitro-N-[2-[(3-oxo-4H-1,4-benzothiazin-2-yl)thio]ethyl]benzenesulfonamide IUPAC Name: 4-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]-4-nitro-benzenesulfonamide Formula: C16H15N3O5S3 MolecularWeight: 425.5024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(S2)SCCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(S2)SCCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S3/c20-15-16(26-14-4-2-1-3-13(14)18-15)25-10-9-17-27(23,24)12-7-5-11(6-8-12)19(21)22/h1-8,16-17H,9-10H2,(H,18,20)