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

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]-3-methyl-benzenesulfonamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]-3-methyl-benzenesulfonamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-3-methylbenzenesulfonamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-3-methylbenzenesulfonamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]-3-methyl-benzenesulfonamide Formula: C20H15ClN2O2S2 MolecularWeight: 414.9283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H15ClN2O2S2/c1-13-5-4-6-15(11-13)27(24,25)23-14-9-10-16(17(21)12-14)20-22-18-7-2-3-8-19(18)26-20/h2-12,23H,1H3