4-methylsulfanyl-3-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S2/c1-29-19-10-7-16(13-18(19)23(25)26)20(24)21-14-15-5-8-17(9-6-15)30(27,28)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,24)