[2-[2-[ethyl-(3-methylphenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-[2-[ethyl-(3-methylphenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-[2-(N-ethyl-3-methyl-anilino)ethylamino]-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[2-(N-ethyl-3-methyl-anilino)ethylamino]-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=O)COC(=O)C1=CC=CC=C1S(=O)(=O)C)C2=CC=CC(=C2)C

Isomeric SMILES

CCN(CCNC(=O)COC(=O)C1=CC=CC=C1S(=O)(=O)C)C2=CC=CC(=C2)C

InChI

InChI=1S/C21H26N2O5S/c1-4-23(17-9-7-8-16(2)14-17)13-12-22-20(24)15-28-21(25)18-10-5-6-11-19(18)29(3,26)27/h5-11,14H,4,12-13,15H2,1-3H3,(H,22,24)