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

Systemtic Name: ethyl 5-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C27H26ClN5O5S MolecularWeight: 568.04384

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26ClN5O5S/c1-2-38-27(35)21-17-29-33(24-13-10-18-8-4-5-9-23(18)30-24)25(21)31-26(34)20-16-19(11-12-22(20)28)39(36,37)32-14-6-3-7-15-32/h4-5,8-13,16-17H,2-3,6-7,14-15H2,1H3,(H,31,34)