(2S)-N-(6-chloranylquinolin-8-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(6-chloranylquinolin-8-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(6-chloro-8-quinolyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(6-chloro-8-quinolinyl)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(6-chloroquinolin-8-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(6-chloro-8-quinolyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C4C(=CC(=C3)Cl)C=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=C4C(=CC(=C3)Cl)C=CC=N4

InChI

InChI=1S/C21H20ClN3O4S/c1-29-16-6-8-17(9-7-16)30(27,28)25-11-3-5-19(25)21(26)24-18-13-15(22)12-14-4-2-10-23-20(14)18/h2,4,6-10,12-13,19H,3,5,11H2,1H3,(H,24,26)/t19-/m0/s1