[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfamoyl]benzoate

Systemtic Name: [2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)sulfamoyl]benzoate Openeye Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl] 3-[(4-bromophenyl)sulfamoyl]benzoate CAS Name: 3-[(4-bromophenyl)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] 3-[(4-bromophenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-bromophenyl)sulfamoyl]benzoic acid [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-keto-ethyl] ester Formula: C25H30BrNO6S MolecularWeight: 552.4778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Br)C(C)C

InChI

InChI=1S/C25H30BrNO6S/c1-16(2)22-12-7-17(3)13-23(22)33-24(28)15-32-25(29)18-5-4-6-21(14-18)34(30,31)27-20-10-8-19(26)9-11-20/h4-6,8-11,14,16-17,22-23,27H,7,12-13,15H2,1-3H3