N-(2-methyl-6-nitro-phenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-methyl-6-nitro-phenyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-methyl-6-nitrophenyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(2-methyl-6-nitro-phenyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N4O5S2/c1-14-6-5-7-16(23(25)26)19(14)21-17(24)13-29-18-9-8-15(12-20-18)30(27,28)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11,13H2,1H3,(H,21,24)