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

Systemtic Name: [4-[(3-methylbutanoylamino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(3-methylbutanoylamino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[(3-methylbutanoylamino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(isovalerylamino)carbamoyl]phenyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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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)NNC(=O)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-13(2)11-19(23)21-22-20(24)16-7-9-17(10-8-16)27-28(25,26)18-12-14(3)5-6-15(18)4/h5-10,12-13H,11H2,1-4H3,(H,21,23)(H,22,24)