methyl 1-[2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-2-carboxylate

Systemtic Name: methyl 1-[2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-2-carboxylate Openeye Name: methyl 1-[2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]piperidine-2-carboxylate CAS Name: 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]piperidine-2-carboxylate Traditional Name: 1-[2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-2-keto-ethyl]pipecolinic acid methyl ester Formula: C19H25ClFN3O5S MolecularWeight: 461.935303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC(=O)C1CCCCN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H25ClFN3O5S/c1-29-19(26)17-4-2-3-7-23(17)13-18(25)22-8-10-24(11-9-22)30(27,28)14-5-6-16(21)15(20)12-14/h5-6,12,17H,2-4,7-11,13H2,1H3