1-[4-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(2-hydroxy-5-methyl-benzoyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(2-hydroxy-5-methyl-benzoyl)piperazino]sulfonylphenyl]ethanone Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C20H22N2O5S/c1-14-3-8-19(24)18(13-14)20(25)21-9-11-22(12-10-21)28(26,27)17-6-4-16(5-7-17)15(2)23/h3-8,13,24H,9-12H2,1-2H3