1-[4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylpiperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[[1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-(1-brosylnipecotoyl)piperazino]-2-methyl-propan-1-one Formula: C20H28BrN3O4S MolecularWeight: 486.42302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H28BrN3O4S/c1-15(2)19(25)22-10-12-23(13-11-22)20(26)16-4-3-9-24(14-16)29(27,28)18-7-5-17(21)6-8-18/h5-8,15-16H,3-4,9-14H2,1-2H3