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

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-(1,3-benzothiazol-2-ylthio)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-(1,3-benzothiazol-2-ylthio)ethyl]-3-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)11-4-3-5-12(10-11)25(21,22)16-8-9-23-15-17-13-6-1-2-7-14(13)24-15/h1-7,10,16H,8-9H2