2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC)C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3OC)C

InChI

InChI=1S/C21H25N5O5S/c1-15-13-16(2)25(23-15)12-6-11-22-19-10-9-17(26(27)28)14-21(19)32(29,30)24-18-7-4-5-8-20(18)31-3/h4-5,7-10,13-14,22,24H,6,11-12H2,1-3H3