phenacyl 2,4-bis(chloranyl)-5-(4-methylpiperazin-1-yl)sulfonyl-benzoate hydrochloride

Systemtic Name: phenacyl 2,4-bis(chloranyl)-5-(4-methylpiperazin-1-yl)sulfonyl-benzoate hydrochloride Openeye Name: phenacyl 2,4-dichloro-5-(4-methylpiperazin-1-yl)sulfonyl-benzoate hydrochloride CAS Name: 2,4-dichloro-5-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid phenacyl ester hydrochloride IUPAC Name: phenacyl 2,4-dichloro-5-(4-methylpiperazin-1-yl)sulfonylbenzoate hydrochloride Traditional Name: 2,4-dichloro-5-(4-methylpiperazino)sulfonyl-benzoic acid phenacyl ester hydrochloride Formula: C20H21Cl3N2O5S MolecularWeight: 507.81514

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OCC(=O)C3=CC=CC=C3)Cl)Cl.Cl

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OCC(=O)C3=CC=CC=C3)Cl)Cl.Cl

InChI

InChI=1S/C20H20Cl2N2O5S.ClH/c1-23-7-9-24(10-8-23)30(27,28)19-11-15(16(21)12-17(19)22)20(26)29-13-18(25)14-5-3-2-4-6-14;/h2-6,11-12H,7-10,13H2,1H3;1H