6-(azepan-1-ylsulfonyl)-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxylic acid Openeye Name: 1-allyl-6-(azepan-1-ylsulfonyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-4-oxo-1-prop-2-enyl-3-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-4-oxo-1-prop-2-enylquinoline-3-carboxylic acid Traditional Name: 1-allyl-6-(azepan-1-ylsulfonyl)-4-keto-quinoline-3-carboxylic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-2-9-20-13-16(19(23)24)18(22)15-12-14(7-8-17(15)20)27(25,26)21-10-5-3-4-6-11-21/h2,7-8,12-13H,1,3-6,9-11H2,(H,23,24)