6-(azepan-1-ylsulfonyl)-2-oxidanylidene-N-(pyridin-3-ylmethyl)-1H-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-oxidanylidene-N-(pyridin-3-ylmethyl)-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-2-oxo-N-(3-pyridylmethyl)-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-2-oxo-N-(3-pyridinylmethyl)-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-2-keto-N-(3-pyridylmethyl)-1H-quinoline-4-carboxamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H24N4O4S/c27-21-13-19(22(28)24-15-16-6-5-9-23-14-16)18-12-17(7-8-20(18)25-21)31(29,30)26-10-3-1-2-4-11-26/h5-9,12-14H,1-4,10-11,15H2,(H,24,28)(H,25,27)