4-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N,N-bis(2-cyanoethyl)benzenesulfonamide

Systemtic Name: 4-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N,N-bis(2-cyanoethyl)benzenesulfonamide Openeye Name: 4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-bis(2-cyanoethyl)benzenesulfonamide CAS Name: 4-[[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-N,N-bis(2-cyanoethyl)benzenesulfonamide IUPAC Name: 4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-bis(2-cyanoethyl)benzenesulfonamide Traditional Name: 4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-bis(2-cyanoethyl)benzenesulfonamide Formula: C24H23BrN6O3S2 MolecularWeight: 587.51182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC=C(C=C4)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C24H23BrN6O3S2/c25-19-5-8-21-22(17-19)35-24(28-21)30-15-13-29(14-16-30)23(32)18-3-6-20(7-4-18)36(33,34)31(11-1-9-26)12-2-10-27/h3-8,17H,1-2,11-16H2