[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C20H24N2O5S/c1-22(17-7-4-3-5-8-17)14-6-13-21-19(23)15-27-20(24)16-9-11-18(12-10-16)28(2,25)26/h3-5,7-12H,6,13-15H2,1-2H3,(H,21,23)