[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C21H24N2O5S/c1-29(26,27)15-16-5-4-6-17(13-16)21(25)28-14-20(24)22-18-7-9-19(10-8-18)23-11-2-3-12-23/h4-10,13H,2-3,11-12,14-15H2,1H3,(H,22,24)