1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-ethanone

Systemtic Name: 1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonyl-ethanone Openeye Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(p-tolylsulfonyl)ethanone CAS Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-methylphenyl)sulfonylethanone IUPAC Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone Traditional Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-2-tosyl-ethanone Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O3S2/c1-14-2-5-16(6-3-14)29(26,27)13-19(25)23-8-10-24(11-9-23)20-22-17-7-4-15(21)12-18(17)28-20/h2-7,12H,8-11,13H2,1H3