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

Systemtic Name: [4-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[2-[(2-methyl-1-oxopropyl)amino]ethylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[2-(isobutyrylamino)ethylcarbamoyl]phenyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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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)NCCNC(=O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCCNC(=O)C(C)C

InChI

InChI=1S/C21H26N2O5S/c1-14(2)20(24)22-11-12-23-21(25)17-7-9-18(10-8-17)28-29(26,27)19-13-15(3)5-6-16(19)4/h5-10,13-14H,11-12H2,1-4H3,(H,22,24)(H,23,25)