(2-chloranyl-7-methyl-quinolin-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2-chloranyl-7-methyl-quinolin-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-chloro-7-methyl-3-quinolyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (2-chloro-7-methyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methylquinolin-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2-chloro-7-methyl-3-quinolyl)methyl ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-15-4-5-17-13-18(21(23)24-20(17)12-15)14-29-22(26)16-6-8-19(9-7-16)30(27,28)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11,14H2,1H3