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[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name:[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate
Openeye Name:[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate
CAS Name:2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester
IUPAC Name:[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
Traditional Name:2-chloro-5-piperidinosulfonyl-benzoic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl] ester
Formula: C26H29ClN4O6S
MolecularWeight: 561.04966
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl


Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl


InChI

InChI=1S/C26H29ClN4O6S/c1-17-23(25(33)31(29(17)3)19-10-6-4-7-11-19)28-24(32)18(2)37-26(34)21-16-20(12-13-22(21)27)38(35,36)30-14-8-5-9-15-30/h4,6-7,10-13,16,18H,5,8-9,14-15H2,1-3H3,(H,28,32)


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