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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-(furan-2-ylmethyl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-(2-furylmethyl)-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-1-ethyl-N-(2-furanylmethyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-(furan-2-ylmethyl)-4-oxoquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-(2-furfuryl)-4-keto-quinoline-3-carboxamide Formula: C23H27N3O5S MolecularWeight: 457.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CO4

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H27N3O5S/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/h7-10,13-14,16H,2-6,11-12,15H2,1H3,(H,24,28)