[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 4-[[(E)-styryl]sulfonylamino]benzoate CAS Name: 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate Traditional Name: 4-[[(E)-styryl]sulfonylamino]benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC=C(C=C1)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5S/c1-3-21-19(23)15(2)27-20(24)17-9-11-18(12-10-17)22-28(25,26)14-13-16-7-5-4-6-8-16/h4-15,22H,3H2,1-2H3,(H,21,23)/b14-13+/t15-/m0/s1