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

Systemtic Name: [4-[(2-ethyl-6-methyl-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(2-ethyl-6-methyl-phenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-ethyl-6-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-ethyl-6-methyl-phenyl)carbamoyl]phenyl] ester Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C)C

InChI

InChI=1S/C24H25NO4S/c1-5-19-8-6-7-18(4)23(19)25-24(26)20-11-13-21(14-12-20)29-30(27,28)22-15-16(2)9-10-17(22)3/h6-15H,5H2,1-4H3,(H,25,26)