phenacyl 2,4-bis(chloranyl)-5-piperazin-1-ylsulfonyl-benzoate hydrochloride

Systemtic Name: phenacyl 2,4-bis(chloranyl)-5-piperazin-1-ylsulfonyl-benzoate hydrochloride Openeye Name: phenacyl 2,4-dichloro-5-piperazin-1-ylsulfonyl-benzoate hydrochloride CAS Name: 2,4-dichloro-5-(1-piperazinylsulfonyl)benzoic acid phenacyl ester hydrochloride IUPAC Name: phenacyl 2,4-dichloro-5-piperazin-1-ylsulfonylbenzoate hydrochloride Traditional Name: 2,4-dichloro-5-piperazinosulfonyl-benzoic acid phenacyl ester hydrochloride Formula: C19H19Cl3N2O5S MolecularWeight: 493.78856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OCC(=O)C3=CC=CC=C3)Cl)Cl.Cl

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)OCC(=O)C3=CC=CC=C3)Cl)Cl.Cl

InChI

InChI=1S/C19H18Cl2N2O5S.ClH/c20-15-11-16(21)18(29(26,27)23-8-6-22-7-9-23)10-14(15)19(25)28-12-17(24)13-4-2-1-3-5-13;/h1-5,10-11,22H,6-9,12H2;1H