[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H25NO7S/c1-3-16-4-6-17(7-5-16)23-22(25)15(2)30-21(24)10-13-31(26,27)18-8-9-19-20(14-18)29-12-11-28-19/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,25)