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

Systemtic Name: [2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-bromophenyl)sulfonylamino]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-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 4-(brosylamino)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=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrNO6S/c1-16(2)22-13-4-17(3)14-23(22)33-24(28)15-32-25(29)18-5-9-20(10-6-18)27-34(30,31)21-11-7-19(26)8-12-21/h5-12,16-17,22-23,27H,4,13-15H2,1-3H3