(2-naphthalen-2-yl-2-oxidanylidene-ethyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-naphthyl)-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-keto-2-(2-naphthyl)ethyl] ester Formula: C23H20ClNO5S MolecularWeight: 457.9266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC4=CC=CC=C4C=C3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC4=CC=CC=C4C=C3)Cl

InChI

InChI=1S/C23H20ClNO5S/c24-20-10-9-19(14-22(20)31(28,29)25-11-3-4-12-25)23(27)30-15-21(26)18-8-7-16-5-1-2-6-17(16)13-18/h1-2,5-10,13-14H,3-4,11-12,15H2