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

Systemtic Name: 4-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-diethyl-benzenesulfonamide Formula: C22H25BrN4O3S2 MolecularWeight: 537.4929

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C22H25BrN4O3S2/c1-3-27(4-2)32(29,30)18-8-5-16(6-9-18)21(28)25-11-13-26(14-12-25)22-24-19-10-7-17(23)15-20(19)31-22/h5-10,15H,3-4,11-14H2,1-2H3