N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-(1,3-benzothiazol-2-ylthio)ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-(1,3-benzothiazol-2-ylthio)ethyl]-2-nitro-benzenesulfonamide Formula: C15H13N3O4S3 MolecularWeight: 395.47642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S3/c19-18(20)12-6-2-4-8-14(12)25(21,22)16-9-10-23-15-17-11-5-1-3-7-13(11)24-15/h1-8,16H,9-10H2