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

Systemtic Name: [4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[2-methyl-5-(1-oxopropylamino)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(2-methyl-5-propionamido-phenyl)carbamoyl]phenyl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C25H26N2O5S/c1-5-24(28)26-20-11-8-17(3)22(15-20)27-25(29)19-9-12-21(13-10-19)32-33(30,31)23-14-16(2)6-7-18(23)4/h6-15H,5H2,1-4H3,(H,26,28)(H,27,29)