4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-3-nitro-benzenesulfonamide CAS Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)thio]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(5-chloro-1,3-benzothiazol-2-yl)thio]-3-nitro-benzenesulfonamide Formula: C13H8ClN3O4S3 MolecularWeight: 401.86832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C13H8ClN3O4S3/c14-7-1-3-11-9(5-7)16-13(22-11)23-12-4-2-8(24(15,20)21)6-10(12)17(18)19/h1-6H,(H2,15,20,21)