N-(4-cyclopentylsulfanylphenyl)-1-pyrrolidin-1-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-1-pyrrolidin-1-ylcarbonyl-piperidine-3-carboxamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide CAS Name: N-[4-(cyclopentylthio)phenyl]-1-[oxo(1-pyrrolidinyl)methyl]-3-piperidinecarboxamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-1-(pyrrolidine-1-carbonyl)nipecotamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)C3CCCN(C3)C(=O)N4CCCC4

Isomeric SMILES

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)C3CCCN(C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H31N3O2S/c26-21(17-6-5-15-25(16-17)22(27)24-13-3-4-14-24)23-18-9-11-20(12-10-18)28-19-7-1-2-8-19/h9-12,17,19H,1-8,13-16H2,(H,23,26)