N-cyclohexyl-N-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-cyclohexyl-N-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-4-nitro-benzenesulfonamide Openeye Name: N-cyclohexyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-benzenesulfonamide CAS Name: N-cyclohexyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-cyclohexyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide Traditional Name: N-cyclohexyl-N-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-4-nitro-benzenesulfonamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3CCCCC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O5S/c1-16-7-8-17-14-18(23(27)24-22(17)13-16)15-25(19-5-3-2-4-6-19)32(30,31)21-11-9-20(10-12-21)26(28)29/h7-14,19H,2-6,15H2,1H3,(H,24,27)