[4-[(3-acetamidophenyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

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

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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)NCC3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C24H24N2O5S/c1-16-7-8-17(2)23(13-16)32(29,30)31-22-11-9-20(10-12-22)24(28)25-15-19-5-4-6-21(14-19)26-18(3)27/h4-14H,15H2,1-3H3,(H,25,28)(H,26,27)