(2-methylquinolin-8-yl) 5-(acetamidomethyl)thiophene-2-sulfonate

Systemtic Name: (2-methylquinolin-8-yl) 5-(acetamidomethyl)thiophene-2-sulfonate Openeye Name: (2-methyl-8-quinolyl) 5-(acetamidomethyl)thiophene-2-sulfonate CAS Name: 5-(acetamidomethyl)-2-thiophenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 5-(acetamidomethyl)thiophene-2-sulfonate Traditional Name: 5-(acetamidomethyl)thiophene-2-sulfonic acid (2-methyl-8-quinolyl) ester Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(S3)CNC(=O)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(S3)CNC(=O)C)C=C1

InChI

InChI=1S/C17H16N2O4S2/c1-11-6-7-13-4-3-5-15(17(13)19-11)23-25(21,22)16-9-8-14(24-16)10-18-12(2)20/h3-9H,10H2,1-2H3,(H,18,20)