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

Systemtic Name: [1-[[[2-chloranyl-5-(5-methylpyridin-2-yl)phenyl]carbonylamino]methyl]cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [1-[[[2-chloro-5-(5-methyl-2-pyridyl)benzoyl]amino]methyl]cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[[[[2-chloro-5-(5-methyl-2-pyridinyl)phenyl]-oxomethyl]amino]methyl]cyclohexyl] ester IUPAC Name: [1-[[[2-chloro-5-(5-methylpyridin-2-yl)benzoyl]amino]methyl]cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[[[2-chloro-5-(5-methyl-2-pyridyl)benzoyl]amino]methyl]cyclohexyl] ester Formula: C27H29ClN2O4S MolecularWeight: 513.04816

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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=NC=C(C=C4)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN2O4S/c1-19-6-10-22(11-7-19)35(32,33)34-27(14-4-3-5-15-27)18-30-26(31)23-16-21(9-12-24(23)28)25-13-8-20(2)17-29-25/h6-13,16-17H,3-5,14-15,18H2,1-2H3,(H,30,31)