6-(azepan-1-ylsulfonyl)-1-methyl-4-oxidanylidene-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxidanylidene-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-1-methyl-4-oxo-N-(2-oxolanylmethyl)-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-4-keto-1-methyl-N-(tetrahydrofurfuryl)quinoline-3-carboxamide Formula: C22H29N3O5S MolecularWeight: 447.54776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4CCCO4

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4CCCO4

InChI

InChI=1S/C22H29N3O5S/c1-24-15-19(22(27)23-14-16-7-6-12-30-16)21(26)18-13-17(8-9-20(18)24)31(28,29)25-10-4-2-3-5-11-25/h8-9,13,15-16H,2-7,10-12,14H2,1H3,(H,23,27)