N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-methylsulfanyl-benzamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-methylsulfanyl-benzamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-4-methylsulfanyl-benzamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-4-(methylthio)benzamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-4-methylsulfanylbenzamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-4-(methylthio)benzamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)SC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)SC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O4S2/c1-3-27-19-12-9-17(22-21(24)16-7-10-18(28-2)11-8-16)15-20(19)29(25,26)23-13-5-4-6-14-23/h7-12,15H,3-6,13-14H2,1-2H3,(H,22,24)