[4-(cyclohexylmethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(cyclohexylmethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(cyclohexylmethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(cyclohexylmethylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(cyclohexylmethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(cyclohexylmethylcarbamoyl)phenyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3CCCCC3

InChI

InChI=1S/C22H27NO4S/c1-16-8-9-17(2)21(14-16)28(25,26)27-20-12-10-19(11-13-20)22(24)23-15-18-6-4-3-5-7-18/h8-14,18H,3-7,15H2,1-2H3,(H,23,24)