quinolin-8-ylmethyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: quinolin-8-ylmethyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 8-quinolylmethyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid 8-quinolylmethyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC4=C3N=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC4=C3N=CC=C4)Cl

InChI

InChI=1S/C21H19ClN2O4S/c22-18-9-8-16(13-19(18)29(26,27)24-11-1-2-12-24)21(25)28-14-17-6-3-5-15-7-4-10-23-20(15)17/h3-10,13H,1-2,11-12,14H2