[3-[(8-acetamido-2-cyano-quinolin-5-yl)sulfonylmethyl]phenyl] ethanoate

Systemtic Name: [3-[(8-acetamido-2-cyano-quinolin-5-yl)sulfonylmethyl]phenyl] ethanoate Openeye Name: [3-[(8-acetamido-2-cyano-5-quinolyl)sulfonylmethyl]phenyl] acetate CAS Name: acetic acid [3-[(8-acetamido-2-cyano-5-quinolinyl)sulfonylmethyl]phenyl] ester IUPAC Name: [3-[(8-acetamido-2-cyanoquinolin-5-yl)sulfonylmethyl]phenyl] acetate Traditional Name: acetic acid [3-[(8-acetamido-2-cyano-5-quinolyl)sulfonylmethyl]phenyl] ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)CC3=CC(=CC=C3)OC(=O)C)C=CC(=N2)C#N

Isomeric SMILES

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)CC3=CC(=CC=C3)OC(=O)C)C=CC(=N2)C#N

InChI

InChI=1S/C21H17N3O5S/c1-13(25)23-19-8-9-20(18-7-6-16(11-22)24-21(18)19)30(27,28)12-15-4-3-5-17(10-15)29-14(2)26/h3-10H,12H2,1-2H3,(H,23,25)