[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C24H28N2O6S/c1-4-19-5-7-20(8-6-19)23(28)17(2)32-24(29)21-9-11-22(12-10-21)33(30,31)26-15-13-25(14-16-26)18(3)27/h5-12,17H,4,13-16H2,1-3H3