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

Systemtic Name: 4-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N-ethyl-N-phenyl-benzenesulfonamide Openeye Name: 4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-ethyl-N-phenyl-benzenesulfonamide CAS Name: 4-[[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-N-ethyl-N-phenylbenzenesulfonamide IUPAC Name: 4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-ethyl-N-phenylbenzenesulfonamide Traditional Name: 4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-ethyl-N-phenyl-benzenesulfonamide Formula: C26H25BrN4O3S2 MolecularWeight: 585.5357

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)Br

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)Br

InChI

InChI=1S/C26H25BrN4O3S2/c1-2-31(21-6-4-3-5-7-21)36(33,34)22-11-8-19(9-12-22)25(32)29-14-16-30(17-15-29)26-28-23-13-10-20(27)18-24(23)35-26/h3-13,18H,2,14-17H2,1H3