1-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2-thienylmethyl)piperidine-4-carboxamide CAS Name: 1-[4-(1-pyrrolidinylsulfonyl)phenyl]-N-(thiophen-2-ylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(4-pyrrolidinosulfonylphenyl)-N-(2-thenyl)isonipecotamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCC(CC3)C(=O)NCC4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCC(CC3)C(=O)NCC4=CC=CS4

InChI

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