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

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

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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)NC3=CC=C(C=C3)NC(=O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C(C)C

InChI

InChI=1S/C25H26N2O5S/c1-16(2)24(28)26-20-9-11-21(12-10-20)27-25(29)19-7-13-22(14-8-19)32-33(30,31)23-15-17(3)5-6-18(23)4/h5-16H,1-4H3,(H,26,28)(H,27,29)