[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(5-methylisoxazol-3-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[(5-methyl-3-isoxazolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(5-methylisoxazol-3-yl)carbamoyl]phenyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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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=NOC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S/c1-12-4-5-13(2)17(10-12)27(23,24)26-16-8-6-15(7-9-16)19(22)20-18-11-14(3)25-21-18/h4-11H,1-3H3,(H,20,21,22)