2-oxidanylidene-6-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide

Systemtic Name: 2-oxidanylidene-6-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide Openeye Name: 2-oxo-6-(1-piperidylsulfonyl)-N-(2-thienylmethyl)-1H-quinoline-4-carboxamide CAS Name: 2-oxo-6-(1-piperidinylsulfonyl)-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide IUPAC Name: 2-oxo-6-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide Traditional Name: 2-keto-6-piperidinosulfonyl-N-(2-thenyl)-1H-quinoline-4-carboxamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CC=CS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CC=CS4

InChI

InChI=1S/C20H21N3O4S2/c24-19-12-17(20(25)21-13-14-5-4-10-28-14)16-11-15(6-7-18(16)22-19)29(26,27)23-8-2-1-3-9-23/h4-7,10-12H,1-3,8-9,13H2,(H,21,25)(H,22,24)