8-chloranyl-1-methyl-4-oxidanylidene-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-3-carboxamide

Systemtic Name: 8-chloranyl-1-methyl-4-oxidanylidene-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-3-carboxamide Openeye Name: 8-chloro-1-methyl-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-3-carboxamide CAS Name: 8-chloro-1-methyl-4-oxo-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-quinolinecarboxamide IUPAC Name: 8-chloro-1-methyl-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinoline-3-carboxamide Traditional Name: 8-chloro-4-keto-1-methyl-N-(4-pyrrolidinosulfonylphenyl)quinoline-3-carboxamide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C(=CC=C2)Cl)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=C(C(=O)C2=C1C(=CC=C2)Cl)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H20ClN3O4S/c1-24-13-17(20(26)16-5-4-6-18(22)19(16)24)21(27)23-14-7-9-15(10-8-14)30(28,29)25-11-2-3-12-25/h4-10,13H,2-3,11-12H2,1H3,(H,23,27)