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

Systemtic Name: N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[[4-(1-piperidylmethyl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[[4-(1-piperidinylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(piperidinomethyl)benzyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H31N3O3S2/c27-23(21-10-14-26(15-11-21)31(28,29)22-5-4-16-30-22)24-17-19-6-8-20(9-7-19)18-25-12-2-1-3-13-25/h4-9,16,21H,1-3,10-15,17-18H2,(H,24,27)