N-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-4-nitro-N-phenethyl-benzenesulfonamide

Systemtic Name: N-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-4-nitro-N-phenethyl-benzenesulfonamide Openeye Name: N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenethyl-benzenesulfonamide CAS Name: N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenethylbenzenesulfonamide IUPAC Name: N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenethylbenzenesulfonamide Traditional Name: N-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-4-nitro-N-phenethyl-benzenesulfonamide Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H25N3O5S/c1-18-14-21-16-22(26(30)27-25(21)15-19(18)2)17-28(13-12-20-6-4-3-5-7-20)35(33,34)24-10-8-23(9-11-24)29(31)32/h3-11,14-16H,12-13,17H2,1-2H3,(H,27,30)