N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCCN3C(=CC(=N3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCCN3C(=CC(=N3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5S/c1-15-5-10-20(14-21(15)27(29)30)33(31,32)25-19-8-6-18(7-9-19)22(28)23-11-4-12-26-17(3)13-16(2)24-26/h5-10,13-14,25H,4,11-12H2,1-3H3,(H,23,28)