2-methoxy-4-methylsulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Systemtic Name: 2-methoxy-4-methylsulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Openeye Name: 2-methoxy-4-methylsulfanyl-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]benzamide CAS Name: 2-methoxy-4-(methylthio)-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]benzamide IUPAC Name: 2-methoxy-4-methylsulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Traditional Name: 2-methoxy-4-(methylthio)-N-(4-piperidinosulfonylbenzyl)benzamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O4S2/c1-27-20-14-17(28-2)8-11-19(20)21(24)22-15-16-6-9-18(10-7-16)29(25,26)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,24)