N-[[4-(ethoxymethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[4-(ethoxymethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[[4-(ethoxymethyl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[[4-(ethoxymethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[4-(ethoxymethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(ethoxymethyl)benzyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOCC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N2O4S2/c1-2-26-15-17-7-5-16(6-8-17)14-21-20(23)18-9-11-22(12-10-18)28(24,25)19-4-3-13-27-19/h3-8,13,18H,2,9-12,14-15H2,1H3,(H,21,23)