N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-2-(4-nitropyrazol-1-yl)acetamide CAS Name: N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-[4-(4-methylpiperidino)sulfonylphenyl]-2-(4-nitropyrazol-1-yl)acetamide Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O5S/c1-13-6-8-21(9-7-13)28(26,27)16-4-2-14(3-5-16)19-17(23)12-20-11-15(10-18-20)22(24)25/h2-5,10-11,13H,6-9,12H2,1H3,(H,19,23)