4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Formula: C21H25N5O5S MolecularWeight: 459.5187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N5O5S/c1-15-13-16(2)25(23-15)12-4-11-22-20-10-9-19(14-21(20)26(27)28)32(29,30)24-17-5-7-18(31-3)8-6-17/h5-10,13-14,22,24H,4,11-12H2,1-3H3