N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(4-morpholinosulfonylphenyl)-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(4-morpholinosulfonylphenyl)-2-(4-nitropyrazol-1-yl)butyramide Formula: C17H21N5O6S MolecularWeight: 423.44354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O6S/c1-2-16(21-12-14(11-18-21)22(24)25)17(23)19-13-3-5-15(6-4-13)29(26,27)20-7-9-28-10-8-20/h3-6,11-12,16H,2,7-10H2,1H3,(H,19,23)