1-[2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(2,4-dichloro-5-morpholinosulfonyl-benzoyl)piperidine-4-carboxylic acid CAS Name: 1-[[2,4-dichloro-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(2,4-dichloro-5-morpholinosulfonyl-benzoyl)isonipecotic acid Formula: C17H20Cl2N2O6S MolecularWeight: 451.3215

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H20Cl2N2O6S/c18-13-10-14(19)15(28(25,26)21-5-7-27-8-6-21)9-12(13)16(22)20-3-1-11(2-4-20)17(23)24/h9-11H,1-8H2,(H,23,24)