3-[(6-chloranylnaphthalen-2-yl)sulfonylamino]-2-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methylamino]propanoic acid

Systemtic Name: 3-[(6-chloranylnaphthalen-2-yl)sulfonylamino]-2-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methylamino]propanoic acid Openeye Name: 3-[(6-chloro-2-naphthyl)sulfonylamino]-2-[[4-methyl-2-(4-pyridyl)thiazol-5-yl]methylamino]propanoic acid CAS Name: 3-[(6-chloro-2-naphthalenyl)sulfonylamino]-2-[(4-methyl-2-pyridin-4-yl-5-thiazolyl)methylamino]propanoic acid IUPAC Name: 3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methylamino]propanoic acid Traditional Name: 3-[(6-chloro-2-naphthyl)sulfonylamino]-2-[[4-methyl-2-(4-pyridyl)thiazol-5-yl]methylamino]propionic acid Formula: C23H21ClN4O4S2 MolecularWeight: 517.02024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=NC=C2)CNC(CNS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=NC=C2)CNC(CNS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C23H21ClN4O4S2/c1-14-21(33-22(28-14)15-6-8-25-9-7-15)13-26-20(23(29)30)12-27-34(31,32)19-5-3-16-10-18(24)4-2-17(16)11-19/h2-11,20,26-27H,12-13H2,1H3,(H,29,30)