methyl 6-(azepan-1-ylsulfonyl)-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxylate

Systemtic Name: methyl 6-(azepan-1-ylsulfonyl)-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxylate Openeye Name: methyl 1-allyl-6-(azepan-1-ylsulfonyl)-4-oxo-quinoline-3-carboxylate CAS Name: 6-(1-azepanylsulfonyl)-4-oxo-1-prop-2-enyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-(azepan-1-ylsulfonyl)-4-oxo-1-prop-2-enylquinoline-3-carboxylate Traditional Name: 1-allyl-6-(azepan-1-ylsulfonyl)-4-keto-quinoline-3-carboxylic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCCCC3)CC=C

Isomeric SMILES

COC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCCCCC3)CC=C

InChI

InChI=1S/C20H24N2O5S/c1-3-10-21-14-17(20(24)27-2)19(23)16-13-15(8-9-18(16)21)28(25,26)22-11-6-4-5-7-12-22/h3,8-9,13-14H,1,4-7,10-12H2,2H3