4-[[2-chloranyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-[[2-chloranyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]butanoic acid Openeye Name: 4-[[2-chloro-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]amino]butanoic acid CAS Name: 4-[[[2-chloro-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]butanoic acid Traditional Name: 4-[[2-chloro-5-(3,5-dimethylpiperidino)sulfonyl-benzoyl]amino]butyric acid Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCCC(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCCC(=O)O)C

InChI

InChI=1S/C18H25ClN2O5S/c1-12-8-13(2)11-21(10-12)27(25,26)14-5-6-16(19)15(9-14)18(24)20-7-3-4-17(22)23/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H,20,24)(H,22,23)