(2-ethoxyphenyl) 3-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]benzenesulfonate

Systemtic Name: (2-ethoxyphenyl) 3-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]benzenesulfonate Openeye Name: (2-ethoxyphenyl) 3-[[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]carbamoyl]benzenesulfonate CAS Name: 3-[[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-oxomethyl]benzenesulfonic acid (2-ethoxyphenyl) ester IUPAC Name: (2-ethoxyphenyl) 3-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]benzenesulfonate Traditional Name: 3-[[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]carbamoyl]benzenesulfonic acid o-phenetyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)OC2=CC=CC=C2OCC

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)OC2=CC=CC=C2OCC

InChI

InChI=1S/C20H24N2O6S/c1-4-21-19(23)14(3)22-20(24)15-9-8-10-16(13-15)29(25,26)28-18-12-7-6-11-17(18)27-5-2/h6-14H,4-5H2,1-3H3,(H,21,23)(H,22,24)/t14-/m0/s1