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

Systemtic Name: [4-(cycloheptylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(cycloheptylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(cycloheptylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(cycloheptylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(cycloheptylcarbamoyl)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)NC3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3CCCCCC3

InChI

InChI=1S/C22H27NO4S/c1-16-9-10-17(2)21(15-16)28(25,26)27-20-13-11-18(12-14-20)22(24)23-19-7-5-3-4-6-8-19/h9-15,19H,3-8H2,1-2H3,(H,23,24)