N-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-2-nitro-N-(3-oxidanylpropyl)benzenesulfonamide

Systemtic Name: N-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-2-nitro-N-(3-oxidanylpropyl)benzenesulfonamide Openeye Name: N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-nitro-benzenesulfonamide CAS Name: N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide IUPAC Name: N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide Traditional Name: N-(3-hydroxypropyl)-N-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-2-nitro-benzenesulfonamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CCCO)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CCCO)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C21H23N3O6S/c1-14-10-15(2)20-16(11-14)12-17(21(26)22-20)13-23(8-5-9-25)31(29,30)19-7-4-3-6-18(19)24(27)28/h3-4,6-7,10-12,25H,5,8-9,13H2,1-2H3,(H,22,26)