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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-oxidanylidene-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-1-ethyl-4-oxo-N-(2-oxolanylmethyl)-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-keto-N-(tetrahydrofurfuryl)quinoline-3-carboxamide Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4CCCO4

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4CCCO4

InChI

InChI=1S/C23H31N3O5S/c1-2-25-16-20(23(28)24-15-17-8-7-13-31-17)22(27)19-14-18(9-10-21(19)25)32(29,30)26-11-5-3-4-6-12-26/h9-10,14,16-17H,2-8,11-13,15H2,1H3,(H,24,28)