N-[(4-piperidin-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(4-piperidin-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[[4-(1-piperidyl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[[4-(1-piperidinyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(4-piperidin-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4-piperidinobenzyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H29N3O3S2/c26-22(19-6-4-14-25(17-19)30(27,28)21-7-5-15-29-21)23-16-18-8-10-20(11-9-18)24-12-2-1-3-13-24/h5,7-11,15,19H,1-4,6,12-14,16-17H2,(H,23,26)