(6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) ester IUPAC Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (2-keto-6-methyl-3-nitro-1H-pyridin-4-yl) ester Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H19N3O7S/c1-12-11-15(16(21(24)25)17(22)19-12)28-18(23)13-5-7-14(8-6-13)29(26,27)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,19,22)