6-(azepan-1-ylsulfonyl)-1-methyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxo-quinoline-3-carboxylate CAS Name: 6-(1-azepanylsulfonyl)-1-methyl-4-oxo-3-quinolinecarboxylate IUPAC Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxoquinoline-3-carboxylate Traditional Name: 6-(azepan-1-ylsulfonyl)-4-keto-1-methyl-quinoline-3-carboxylate Formula: C17H19N2O5S- MolecularWeight: 363.40816

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)[O-]

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O5S/c1-18-11-14(17(21)22)16(20)13-10-12(6-7-15(13)18)25(23,24)19-8-4-2-3-5-9-19/h6-7,10-11H,2-5,8-9H2,1H3,(H,21,22)/p-1