(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C22H21ClN2O5S/c1-29-18-8-7-15-11-17(21(23)24-20(15)13-18)14-30-22(26)16-5-4-6-19(12-16)31(27,28)25-9-2-3-10-25/h4-8,11-13H,2-3,9-10,14H2,1H3