2,4-bis(chloranyl)pentan-3-one; 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2,4-bis(chloranyl)pentan-3-one; 2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 2,4-dichloropentan-3-one; 3-phenyl-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 2,4-dichloro-3-pentanone; 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2,4-dichloropentan-3-one; 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2,4-dichloropentan-3-one; 3-phenyl-2-(tosylamino)propionic acid Formula: C21H25Cl2NO5S MolecularWeight: 474.3979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O.CC(C(=O)C(C)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O.CC(C(=O)C(C)Cl)Cl

InChI

InChI=1S/C16H17NO4S.C5H8Cl2O/c1-12-7-9-14(10-8-12)22(20,21)17-15(16(18)19)11-13-5-3-2-4-6-13;1-3(6)5(8)4(2)7/h2-10,15,17H,11H2,1H3,(H,18,19);3-4H,1-2H3