N-(4-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-5-nitro-benzenesulfonamide

Systemtic Name: N-(4-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-5-nitro-benzenesulfonamide Openeye Name: N-(4-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-5-nitro-benzenesulfonamide CAS Name: N-(4-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,5-dimethyl-1-pyrazolyl)-5-nitrobenzenesulfonamide IUPAC Name: N-(4-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5-nitrobenzenesulfonamide Traditional Name: N-(4-chlorophenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-2-(3,5-dimethylpyrazol-1-yl)-5-nitro-benzenesulfonamide Formula: C28H26ClN5O5S MolecularWeight: 580.05454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N(CC(=O)N3CCCC4=CC=CC=C43)C5=CC=C(C=C5)Cl)C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N(CC(=O)N3CCCC4=CC=CC=C43)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C28H26ClN5O5S/c1-19-16-20(2)33(30-19)26-14-13-24(34(36)37)17-27(26)40(38,39)32(23-11-9-22(29)10-12-23)18-28(35)31-15-5-7-21-6-3-4-8-25(21)31/h3-4,6,8-14,16-17H,5,7,15,18H2,1-2H3