[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H27NO6S/c1-4-17-6-8-18(9-7-17)22(25)16(3)29-21(24)14-15-23-30(26,27)20-12-10-19(11-13-20)28-5-2/h6-13,16,23H,4-5,14-15H2,1-3H3