(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl (2S)-2-(butylsulfonylamino)propanoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C19H25ClN2O4S MolecularWeight: 412.9308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OCC1=C(N=C2C(=C(C=CC2=C1)C)C)Cl

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)OCC1=C(N=C2C(=C(C=CC2=C1)C)C)Cl

InChI

InChI=1S/C19H25ClN2O4S/c1-5-6-9-27(24,25)22-14(4)19(23)26-11-16-10-15-8-7-12(2)13(3)17(15)21-18(16)20/h7-8,10,14,22H,5-6,9,11H2,1-4H3/t14-/m0/s1