(2-methylquinolin-8-yl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-methylquinolin-8-yl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: (2-methyl-8-quinolyl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid (2-methyl-8-quinolyl) ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N4CCCC4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N4CCCC4)C=C1

InChI

InChI=1S/C23H25N3O4S/c1-16-9-10-17-7-6-8-21(22(17)24-16)30-23(27)19-15-18(31(28,29)25(2)3)11-12-20(19)26-13-4-5-14-26/h6-12,15H,4-5,13-14H2,1-3H3