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

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: (2-chloro-3-quinolyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid (2-chloro-3-quinolyl)methyl ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C21H21ClN2O5S/c1-2-28-17-7-9-18(10-8-17)30(26,27)23-12-11-20(25)29-14-16-13-15-5-3-4-6-19(15)24-21(16)22/h3-10,13,23H,2,11-12,14H2,1H3