2-bromanyl-4,5-dimethoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzenesulfonamide

Systemtic Name: 2-bromanyl-4,5-dimethoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzenesulfonamide Openeye Name: 2-bromo-4,5-dimethoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzenesulfonamide CAS Name: 2-bromo-4,5-dimethoxy-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]benzenesulfonamide IUPAC Name: 2-bromo-4,5-dimethoxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzenesulfonamide Traditional Name: 2-bromo-4,5-dimethoxy-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)benzenesulfonamide Formula: C19H20BrN3O4S2 MolecularWeight: 498.4138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

InChI

InChI=1S/C19H20BrN3O4S2/c1-26-15-10-13(20)18(11-16(15)27-2)29(24,25)22-12-5-6-14-17(9-12)28-19(21-14)23-7-3-4-8-23/h5-6,9-11,22H,3-4,7-8H2,1-2H3