[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)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:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C21H25NO5S/c1-16(2)22(13-17-7-5-4-6-8-17)20(23)14-27-21(24)19-11-9-18(10-12-19)15-28(3,25)26/h4-12,16H,13-15H2,1-3H3