[4-[(2,6-diethylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(2,6-diethylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(2,6-diethylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(2,6-diethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,6-diethylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(2,6-diethylphenyl)carbamoyl]phenyl] ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C25H27NO4S/c1-5-19-8-7-9-20(6-2)24(19)26-25(27)21-12-14-22(15-13-21)30-31(28,29)23-16-17(3)10-11-18(23)4/h7-16H,5-6H2,1-4H3,(H,26,27)