N-[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]-3-cyano-benzenesulfonamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]-3-cyano-benzenesulfonamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]-3-cyano-benzenesulfonamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-3-cyanobenzenesulfonamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-3-cyanobenzenesulfonamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]-3-cyano-benzenesulfonamide Formula: C20H12ClN3O2S2 MolecularWeight: 425.91118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C#N)Cl

InChI

InChI=1S/C20H12ClN3O2S2/c21-17-11-14(24-28(25,26)15-5-3-4-13(10-15)12-22)8-9-16(17)20-23-18-6-1-2-7-19(18)27-20/h1-11,24H