N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-butoxy-3-methoxy-benzyl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H30N2O5S2 MolecularWeight: 466.614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC

InChI

InChI=1S/C22H30N2O5S2/c1-3-4-13-29-19-8-7-17(15-20(19)28-2)16-23-22(25)18-9-11-24(12-10-18)31(26,27)21-6-5-14-30-21/h5-8,14-15,18H,3-4,9-13,16H2,1-2H3,(H,23,25)