(2-chloranylquinolin-3-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (2-chloro-3-quinolyl)methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (2-chloro-3-quinolyl)methyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-14-6-8-17(9-7-14)28(25,26)22-11-10-19(24)27-13-16-12-15-4-2-3-5-18(15)23-20(16)21/h2-9,12,22H,10-11,13H2,1H3