[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(2-methylphenyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(2-methylphenyl)ethanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(o-tolyl)acetate CAS Name: 2-(2-methylphenyl)acetic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(2-methylphenyl)acetate Traditional Name: 2-(o-tolyl)acetic acid [2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CC(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23NO5S/c1-16-6-2-3-7-18(16)14-21(24)27-15-20(23)17-8-10-19(11-9-17)28(25,26)22-12-4-5-13-22/h2-3,6-11H,4-5,12-15H2,1H3