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

Systemtic Name: [2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 2-chloranyl-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate Openeye Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl] 2-chloro-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate CAS Name: 2-chloro-5-[(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] 2-chloro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate Traditional Name: 2-chloro-5-[(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=C(C=CC(=C2)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)Cl)C(C)C

Isomeric SMILES

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

InChI

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