1-(2-chloranyl-3-fluoranyl-phenyl)-3-(4-chloranyl-2-oxidanyl-3-piperazin-1-ylsulfonyl-phenyl)urea hydrochloride

Systemtic Name: 1-(2-chloranyl-3-fluoranyl-phenyl)-3-(4-chloranyl-2-oxidanyl-3-piperazin-1-ylsulfonyl-phenyl)urea hydrochloride Openeye Name: 1-(2-chloro-3-fluoro-phenyl)-3-(4-chloro-2-hydroxy-3-piperazin-1-ylsulfonyl-phenyl)urea hydrochloride CAS Name: 1-(2-chloro-3-fluorophenyl)-3-[4-chloro-2-hydroxy-3-(1-piperazinylsulfonyl)phenyl]urea hydrochloride IUPAC Name: 1-(2-chloro-3-fluorophenyl)-3-(4-chloro-2-hydroxy-3-piperazin-1-ylsulfonylphenyl)urea hydrochloride Traditional Name: 1-(2-chloro-3-fluoro-phenyl)-3-(4-chloro-2-hydroxy-3-piperazinosulfonyl-phenyl)urea hydrochloride Formula: C17H18Cl3FN4O4S MolecularWeight: 499.771623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=C(C(=CC=C3)F)Cl)Cl.Cl

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=C(C(=CC=C3)F)Cl)Cl.Cl

InChI

InChI=1S/C17H17Cl2FN4O4S.ClH/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24;/h1-5,21,25H,6-9H2,(H2,22,23,26);1H