[2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-[(4-ethoxybenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)CC

InChI

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