4-methylsulfanyl-3-nitro-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)benzamide

Systemtic Name: 4-methylsulfanyl-3-nitro-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)benzamide Openeye Name: N-[2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: 4-(methylthio)-3-nitro-N-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyphenyl]benzamide IUPAC Name: 4-methylsulfanyl-3-nitro-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide Traditional Name: N-(2-isopropoxy-5-piperidinosulfonyl-phenyl)-4-(methylthio)-3-nitro-benzamide Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S2/c1-15(2)31-20-9-8-17(33(29,30)24-11-5-4-6-12-24)14-18(20)23-22(26)16-7-10-21(32-3)19(13-16)25(27)28/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,23,26)