1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-4-methyl-pentan-1-one

Systemtic Name: 1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-4-methyl-pentan-1-one Openeye Name: 1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]-4-methyl-pentan-1-one CAS Name: 1-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-4-methyl-1-pentanone IUPAC Name: 1-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one Traditional Name: 1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]-4-methyl-pentan-1-one Formula: C17H25BrN2O3S MolecularWeight: 417.361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(C)C)Br

InChI

InChI=1S/C17H25BrN2O3S/c1-13(2)4-7-17(21)19-8-10-20(11-9-19)24(22,23)15-5-6-16(18)14(3)12-15/h5-6,12-13H,4,7-11H2,1-3H3