(4-oxidanylidene-4-phenyl-butyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-oxo-4-phenyl-butyl) 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (4-keto-4-phenyl-butyl) ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H22ClNO5S/c22-18-11-10-17(15-20(18)29(26,27)23-12-4-5-13-23)21(25)28-14-6-9-19(24)16-7-2-1-3-8-16/h1-3,7-8,10-11,15H,4-6,9,12-14H2