1-methyl-4-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide

Systemtic Name: 1-methyl-4-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide Openeye Name: 1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonyl-N-(2-thienylmethyl)quinoline-3-carboxamide CAS Name: 1-methyl-4-oxo-6-(1-pyrrolidinylsulfonyl)-N-(thiophen-2-ylmethyl)-3-quinolinecarboxamide IUPAC Name: 1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide Traditional Name: 4-keto-1-methyl-6-pyrrolidinosulfonyl-N-(2-thenyl)quinoline-3-carboxamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=CC=CS4

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C20H21N3O4S2/c1-22-13-17(20(25)21-12-14-5-4-10-28-14)19(24)16-11-15(6-7-18(16)22)29(26,27)23-8-2-3-9-23/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,21,25)