ethyl 8-cyano-4-[[4-(pyridin-3-ylmethylsulfamoyl)phenyl]amino]quinoline-3-carboxylate

Systemtic Name: ethyl 8-cyano-4-[[4-(pyridin-3-ylmethylsulfamoyl)phenyl]amino]quinoline-3-carboxylate Openeye Name: ethyl 8-cyano-4-[4-(3-pyridylmethylsulfamoyl)anilino]quinoline-3-carboxylate CAS Name: 8-cyano-4-[4-(3-pyridinylmethylsulfamoyl)anilino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-cyano-4-[4-(pyridin-3-ylmethylsulfamoyl)anilino]quinoline-3-carboxylate Traditional Name: 8-cyano-4-[4-(3-pyridylmethylsulfamoyl)anilino]quinoline-3-carboxylic acid ethyl ester Formula: C25H21N5O4S MolecularWeight: 487.53034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC(=C2N=C1)C#N)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC(=C2N=C1)C#N)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H21N5O4S/c1-2-34-25(31)22-16-28-23-18(13-26)6-3-7-21(23)24(22)30-19-8-10-20(11-9-19)35(32,33)29-15-17-5-4-12-27-14-17/h3-12,14,16,29H,2,15H2,1H3,(H,28,30)