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

Systemtic Name: N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[[4-(1-pyrrolidinyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4-pyrrolidinobenzyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N3O3S2/c25-21(22-15-17-7-9-19(10-8-17)23-11-1-2-12-23)18-5-3-13-24(16-18)29(26,27)20-6-4-14-28-20/h4,6-10,14,18H,1-3,5,11-13,15-16H2,(H,22,25)