3-[[1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]propanoate

Systemtic Name: 3-[[1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]propanoate Openeye Name: 3-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]propanoate CAS Name: 3-[[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]-oxomethyl]amino]propanoate IUPAC Name: 3-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]propanoate Traditional Name: 3-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]amino]propionate Formula: C16H17ClF3N2O5S- MolecularWeight: 441.82979

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC(=O)[O-])S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCCC(=O)[O-])S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C16H18ClF3N2O5S/c17-13-2-1-11(9-12(13)16(18,19)20)28(26,27)22-7-4-10(5-8-22)15(25)21-6-3-14(23)24/h1-2,9-10H,3-8H2,(H,21,25)(H,23,24)/p-1