[1-[[[2-chloranyl-5-(1H-pyrazol-5-yl)phenyl]carbonylamino]methyl]cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [1-[[[2-chloranyl-5-(1H-pyrazol-5-yl)phenyl]carbonylamino]methyl]cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [1-[[[2-chloro-5-(1H-pyrazol-5-yl)benzoyl]amino]methyl]cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[[[[2-chloro-5-(1H-pyrazol-5-yl)phenyl]-oxomethyl]amino]methyl]cyclohexyl] ester IUPAC Name: [1-[[[2-chloro-5-(1H-pyrazol-5-yl)benzoyl]amino]methyl]cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[[[2-chloro-5-(1H-pyrazol-5-yl)benzoyl]amino]methyl]cyclohexyl] ester Formula: C24H26ClN3O4S MolecularWeight: 487.99894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2(CCCCC2)CNC(=O)C3=C(C=CC(=C3)C4=CC=NN4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2(CCCCC2)CNC(=O)C3=C(C=CC(=C3)C4=CC=NN4)Cl

InChI

InChI=1S/C24H26ClN3O4S/c1-17-5-8-19(9-6-17)33(30,31)32-24(12-3-2-4-13-24)16-26-23(29)20-15-18(7-10-21(20)25)22-11-14-27-28-22/h5-11,14-15H,2-4,12-13,16H2,1H3,(H,26,29)(H,27,28)