[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 4-chloranyl-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate

Systemtic Name: [2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 4-chloranyl-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate Openeye Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl] 4-chloro-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate CAS Name: 4-chloro-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] ester IUPAC Name: [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-chloro-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate Traditional Name: 4-chloro-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoic acid [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-keto-ethyl] ester Formula: C26H31ClN2O9S MolecularWeight: 583.05034

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)C(C)C

InChI

InChI=1S/C26H31ClN2O9S/c1-15(2)19-8-5-16(3)11-23(19)38-25(30)14-37-26(31)17-6-9-20(27)24(12-17)39(34,35)28-21-13-18(29(32)33)7-10-22(21)36-4/h6-7,9-10,12-13,15-16,19,23,28H,5,8,11,14H2,1-4H3