[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-keto-2-[4-[mesyl(methyl)amino]phenyl]ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C

InChI

InChI=1S/C21H25NO6S/c1-4-5-14-27-19-12-8-17(9-13-19)21(24)28-15-20(23)16-6-10-18(11-7-16)22(2)29(3,25)26/h6-13H,4-5,14-15H2,1-3H3