[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(3,4-dichlorophenyl)-2-oxo-ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-(3,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-2-oxoethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [2-(3,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C21H20Cl2N2O6S MolecularWeight: 499.3643

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O6S/c1-14(26)24-7-9-25(10-8-24)32(29,30)17-4-2-3-16(11-17)21(28)31-13-20(27)15-5-6-18(22)19(23)12-15/h2-6,11-12H,7-10,13H2,1H3