(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloranyl-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloranyl-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloro-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate CAS Name: 2-chloro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-chloro-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate Traditional Name: 2-chloro-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H29ClN2O7S MolecularWeight: 561.04636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC)Cl)C)C(C)(C)C

InChI

InChI=1S/C27H29ClN2O7S/c1-16-11-18(27(3,4)5)12-17(2)22(16)15-37-26(31)21-14-20(8-9-23(21)28)38(34,35)29-24-13-19(30(32)33)7-10-25(24)36-6/h7-14,29H,15H2,1-6H3