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

Systemtic Name: N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[[4-(1-pyrrolidinyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-pyrrolidinobenzyl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N3O3S2/c25-21(22-16-17-5-7-19(8-6-17)23-11-1-2-12-23)18-9-13-24(14-10-18)29(26,27)20-4-3-15-28-20/h3-8,15,18H,1-2,9-14,16H2,(H,22,25)