3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[(2,6-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid

Systemtic Name: 3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[(2,6-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid Openeye Name: 3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[(2,6-dimethyl-1-piperidyl)sulfonylamino]propanoic acid CAS Name: 3-[4-[[(3,5-dichloro-4-pyridinyl)-oxomethyl]amino]phenyl]-2-[(2,6-dimethyl-1-piperidinyl)sulfonylamino]propanoic acid IUPAC Name: 3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[(2,6-dimethylpiperidin-1-yl)sulfonylamino]propanoic acid Traditional Name: 3-[4-[(3,5-dichloroisonicotinoyl)amino]phenyl]-2-[(2,6-dimethylpiperidino)sulfonylamino]propionic acid Formula: C22H26Cl2N4O5S MolecularWeight: 529.43664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3Cl)Cl)C(=O)O)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3Cl)Cl)C(=O)O)C

InChI

InChI=1S/C22H26Cl2N4O5S/c1-13-4-3-5-14(2)28(13)34(32,33)27-19(22(30)31)10-15-6-8-16(9-7-15)26-21(29)20-17(23)11-25-12-18(20)24/h6-9,11-14,19,27H,3-5,10H2,1-2H3,(H,26,29)(H,30,31)