[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C21H25NO5S/c1-15(2)22(13-17-8-6-5-7-9-17)20(23)14-27-21(24)19-12-18(28(4,25)26)11-10-16(19)3/h5-12,15H,13-14H2,1-4H3