(3-chloranyl-4-methyl-quinolin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-15-18-9-2-3-10-19(18)24-20(21(15)23)14-29-22(26)16-7-6-8-17(13-16)30(27,28)25-11-4-5-12-25/h2-3,6-10,13H,4-5,11-12,14H2,1H3