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

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-4-(methylthio)-3-nitro-benzamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S2/c1-14-6-8-16(30(27,28)22-10-4-3-5-11-22)13-17(14)21-20(24)15-7-9-19(29-2)18(12-15)23(25)26/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,21,24)