N-(2-butoxy-5-methoxy-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-butoxy-5-methoxy-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-butoxy-5-methoxy-phenyl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-butoxy-5-methoxyphenyl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-butoxy-5-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-butoxy-5-methoxy-phenyl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S2/c1-3-4-13-28-19-8-7-17(27-2)15-18(19)22-21(24)16-9-11-23(12-10-16)30(25,26)20-6-5-14-29-20/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,22,24)