N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-4-(methylthio)-3-nitro-benzamide Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S2/c1-23(2)18-9-8-16(32(29,30)24-11-5-4-6-12-24)14-17(18)22-21(26)15-7-10-20(31-3)19(13-15)25(27)28/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,26)