1-adamantylmethyl 4-chloranyl-3-[(4-chlorophenyl)-methyl-sulfamoyl]benzoate

Systemtic Name: 1-adamantylmethyl 4-chloranyl-3-[(4-chlorophenyl)-methyl-sulfamoyl]benzoate Openeye Name: 1-adamantylmethyl 4-chloro-3-[(4-chlorophenyl)-methyl-sulfamoyl]benzoate CAS Name: 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate Traditional Name: 4-chloro-3-[(4-chlorophenyl)-methyl-sulfamoyl]benzoic acid 1-adamantylmethyl ester Formula: C25H27Cl2NO4S MolecularWeight: 508.45718

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C25H27Cl2NO4S/c1-28(21-5-3-20(26)4-6-21)33(30,31)23-11-19(2-7-22(23)27)24(29)32-15-25-12-16-8-17(13-25)10-18(9-16)14-25/h2-7,11,16-18H,8-10,12-15H2,1H3