4-[5-azanyl-3-(4-propylphenyl)pyrazol-1-yl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[5-azanyl-3-(4-propylphenyl)pyrazol-1-yl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[5-amino-3-(4-propylphenyl)pyrazol-1-yl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-[5-amino-3-(4-propylphenyl)-1-pyrazolyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[5-amino-3-(4-propylphenyl)pyrazol-1-yl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[5-amino-3-(4-propylphenyl)pyrazol-1-yl]-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Formula: C25H25N5O5S MolecularWeight: 507.5615

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O5S/c1-3-4-17-5-7-18(8-6-17)22-16-25(26)29(27-22)23-14-13-21(15-24(23)30(31)32)36(33,34)28-19-9-11-20(35-2)12-10-19/h5-16,28H,3-4,26H2,1-2H3