2-(butylsulfonylamino)-3-[4-[(3-piperidin-4-ylphenyl)carbonylamino]phenyl]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[4-[(3-piperidin-4-ylphenyl)carbonylamino]phenyl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[4-[[3-(4-piperidyl)benzoyl]amino]phenyl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[4-[[oxo-[3-(4-piperidinyl)phenyl]methyl]amino]phenyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[4-[(3-piperidin-4-ylbenzoyl)amino]phenyl]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[4-[[3-(4-piperidyl)benzoyl]amino]phenyl]propionic acid Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)C3CCNCC3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)C3CCNCC3)C(=O)O

InChI

InChI=1S/C25H33N3O5S/c1-2-3-15-34(32,33)28-23(25(30)31)16-18-7-9-22(10-8-18)27-24(29)21-6-4-5-20(17-21)19-11-13-26-14-12-19/h4-10,17,19,23,26,28H,2-3,11-16H2,1H3,(H,27,29)(H,30,31)