[4-[[2-(ethylamino)-2-oxidanylidene-ethyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[[2-(ethylamino)-2-oxidanylidene-ethyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[[2-(ethylamino)-2-oxo-ethyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[[2-(ethylamino)-2-oxoethyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[[2-(ethylamino)-2-keto-ethyl]carbamoyl]phenyl] ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CNC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCNC(=O)CNC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C19H22N2O5S/c1-4-20-18(22)12-21-19(23)15-7-9-16(10-8-15)26-27(24,25)17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23)