2-methyl-N-[1-(3-methylbutyl)-2-oxidanylidene-3,4-dihydroquinolin-6-yl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[1-(3-methylbutyl)-2-oxidanylidene-3,4-dihydroquinolin-6-yl]-5-nitro-benzenesulfonamide Openeye Name: N-(1-isopentyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-5-nitrobenzenesulfonamide Traditional Name: N-(1-isoamyl-2-keto-3,4-dihydroquinolin-6-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)CC3)CCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)CC3)CCC(C)C

InChI

InChI=1S/C21H25N3O5S/c1-14(2)10-11-23-19-8-6-17(12-16(19)5-9-21(23)25)22-30(28,29)20-13-18(24(26)27)7-4-15(20)3/h4,6-8,12-14,22H,5,9-11H2,1-3H3