4-bromanyl-N-[1,3-dimethyl-2-oxidanylidene-6-[(phenylmethyl)amino]benzimidazol-5-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[1,3-dimethyl-2-oxidanylidene-6-[(phenylmethyl)amino]benzimidazol-5-yl]benzenesulfonamide Openeye Name: N-[6-(benzylamino)-1,3-dimethyl-2-oxo-benzimidazol-5-yl]-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[1,3-dimethyl-2-oxo-6-[(phenylmethyl)amino]-5-benzimidazolyl]benzenesulfonamide IUPAC Name: N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-bromobenzenesulfonamide Traditional Name: N-[6-(benzylamino)-2-keto-1,3-dimethyl-benzimidazol-5-yl]-4-bromo-benzenesulfonamide Formula: C22H21BrN4O3S MolecularWeight: 501.39614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)NS(=O)(=O)C3=CC=C(C=C3)Br)NCC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)NS(=O)(=O)C3=CC=C(C=C3)Br)NCC4=CC=CC=C4

InChI

InChI=1S/C22H21BrN4O3S/c1-26-20-12-18(24-14-15-6-4-3-5-7-15)19(13-21(20)27(2)22(26)28)25-31(29,30)17-10-8-16(23)9-11-17/h3-13,24-25H,14H2,1-2H3