ethyl 5-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-1-(4-methyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C28H28ClN5O5S MolecularWeight: 582.07042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C(=C2)C)NC(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C(=C2)C)NC(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)Cl

InChI

InChI=1S/C28H28ClN5O5S/c1-3-39-28(36)22-17-30-34(25-15-18(2)20-9-5-6-10-24(20)31-25)26(22)32-27(35)21-16-19(11-12-23(21)29)40(37,38)33-13-7-4-8-14-33/h5-6,9-12,15-17H,3-4,7-8,13-14H2,1-2H3,(H,32,35)