N-[1-(3-methylbutyl)-2-oxidanylidene-3,4-dihydroquinolin-6-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[1-(3-methylbutyl)-2-oxidanylidene-3,4-dihydroquinolin-6-yl]-2-nitro-benzenesulfonamide Openeye Name: N-(1-isopentyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-nitro-benzenesulfonamide CAS Name: N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-nitrobenzenesulfonamide Traditional Name: N-(1-isoamyl-2-keto-3,4-dihydroquinolin-6-yl)-2-nitro-benzenesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)CCC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)CCC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-14(2)11-12-22-17-9-8-16(13-15(17)7-10-20(22)24)21-29(27,28)19-6-4-3-5-18(19)23(25)26/h3-6,8-9,13-14,21H,7,10-12H2,1-2H3