ethyl 3-[(6-piperidin-1-ylsulfonylquinolin-2-yl)amino]benzoate

Systemtic Name: ethyl 3-[(6-piperidin-1-ylsulfonylquinolin-2-yl)amino]benzoate Openeye Name: ethyl 3-[[6-(1-piperidylsulfonyl)-2-quinolyl]amino]benzoate CAS Name: 3-[[6-(1-piperidinylsulfonyl)-2-quinolinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-piperidin-1-ylsulfonylquinolin-2-yl)amino]benzoate Traditional Name: 3-[(6-piperidinosulfonyl-2-quinolyl)amino]benzoic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC3=C(C=C2)C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC3=C(C=C2)C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H25N3O4S/c1-2-30-23(27)18-7-6-8-19(15-18)24-22-12-9-17-16-20(10-11-21(17)25-22)31(28,29)26-13-4-3-5-14-26/h6-12,15-16H,2-5,13-14H2,1H3,(H,24,25)