4-oxidanylidene-N-(4-piperidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide

Systemtic Name: 4-oxidanylidene-N-(4-piperidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide Openeye Name: 4-oxo-N-[4-(1-piperidylsulfonyl)phenyl]-1H-quinoline-3-carboxamide CAS Name: 4-oxo-N-[4-(1-piperidinylsulfonyl)phenyl]-1H-quinoline-3-carboxamide IUPAC Name: 4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)-1H-quinoline-3-carboxamide Traditional Name: 4-keto-N-(4-piperidinosulfonylphenyl)-1H-quinoline-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CNC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CNC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O4S/c25-20-17-6-2-3-7-19(17)22-14-18(20)21(26)23-15-8-10-16(11-9-15)29(27,28)24-12-4-1-5-13-24/h2-3,6-11,14H,1,4-5,12-13H2,(H,22,25)(H,23,26)