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

Systemtic Name: [4-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[[3-(methylcarbamoyl)phenyl]methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[3-(methylcarbamoyl)benzyl]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)C(=O)NC

Isomeric SMILES

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

InChI

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