N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-(4-mesyl-2-nitro-phenyl)amine Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4S/c1-11-9-12(2)18(17-11)8-4-7-16-14-6-5-13(24(3,22)23)10-15(14)19(20)21/h5-6,9-10,16H,4,7-8H2,1-3H3