[1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C23H29NO7S MolecularWeight: 463.54386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C)OCC

InChI

InChI=1S/C23H29NO7S/c1-5-7-14-30-20-13-10-18(15-21(20)29-6-2)23(26)31-16(3)22(25)17-8-11-19(12-9-17)24-32(4,27)28/h8-13,15-16,24H,5-7,14H2,1-4H3