N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-2-(4-nitropyrazol-1-yl)acetamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-[4-(3-methylpiperidino)sulfonylphenyl]-2-(4-nitropyrazol-1-yl)acetamide Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O5S/c1-13-3-2-8-21(10-13)28(26,27)16-6-4-14(5-7-16)19-17(23)12-20-11-15(9-18-20)22(24)25/h4-7,9,11,13H,2-3,8,10,12H2,1H3,(H,19,23)