[4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[3-(ethylcarbamoyl)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]phenyl] ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O5S/c1-4-25-23(27)19-6-5-7-20(15-19)26-24(28)18-10-12-21(13-11-18)31-32(29,30)22-14-16(2)8-9-17(22)3/h5-15H,4H2,1-3H3,(H,25,27)(H,26,28)