2-[[1-[3,5-bis(chloranyl)phenyl]sulfonyl-4-phenyl-piperidin-4-yl]carbonylamino]hexanoic acid

Systemtic Name: 2-[[1-[3,5-bis(chloranyl)phenyl]sulfonyl-4-phenyl-piperidin-4-yl]carbonylamino]hexanoic acid Openeye Name: 2-[[1-(3,5-dichlorophenyl)sulfonyl-4-phenyl-piperidine-4-carbonyl]amino]hexanoic acid CAS Name: 2-[[[1-(3,5-dichlorophenyl)sulfonyl-4-phenyl-4-piperidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[[1-(3,5-dichlorophenyl)sulfonyl-4-phenylpiperidine-4-carbonyl]amino]hexanoic acid Traditional Name: 2-[[1-(3,5-dichlorophenyl)sulfonyl-4-phenyl-isonipecotoyl]amino]hexanoic acid Formula: C24H28Cl2N2O5S MolecularWeight: 527.46052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C24H28Cl2N2O5S/c1-2-3-9-21(22(29)30)27-23(31)24(17-7-5-4-6-8-17)10-12-28(13-11-24)34(32,33)20-15-18(25)14-19(26)16-20/h4-8,14-16,21H,2-3,9-13H2,1H3,(H,27,31)(H,29,30)