(2-ethoxyphenyl) 3-[[2-(ethylamino)-2-oxidanylidene-ethyl]carbamoyl]benzenesulfonate

Systemtic Name: (2-ethoxyphenyl) 3-[[2-(ethylamino)-2-oxidanylidene-ethyl]carbamoyl]benzenesulfonate Openeye Name: (2-ethoxyphenyl) 3-[[2-(ethylamino)-2-oxo-ethyl]carbamoyl]benzenesulfonate CAS Name: 3-[[[2-(ethylamino)-2-oxoethyl]amino]-oxomethyl]benzenesulfonic acid (2-ethoxyphenyl) ester IUPAC Name: (2-ethoxyphenyl) 3-[[2-(ethylamino)-2-oxoethyl]carbamoyl]benzenesulfonate Traditional Name: 3-[[2-(ethylamino)-2-keto-ethyl]carbamoyl]benzenesulfonic acid o-phenetyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CNC(=O)C1=CC(=CC=C1)S(=O)(=O)OC2=CC=CC=C2OCC

Isomeric SMILES

CCNC(=O)CNC(=O)C1=CC(=CC=C1)S(=O)(=O)OC2=CC=CC=C2OCC

InChI

InChI=1S/C19H22N2O6S/c1-3-20-18(22)13-21-19(23)14-8-7-9-15(12-14)28(24,25)27-17-11-6-5-10-16(17)26-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23)