N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(2-chlorophenyl)-2-pyrrolidino-ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C22H28ClN3O3S2 MolecularWeight: 482.05902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H28ClN3O3S2/c23-19-9-2-1-8-18(19)20(25-11-3-4-12-25)15-24-22(27)17-7-5-13-26(16-17)31(28,29)21-10-6-14-30-21/h1-2,6,8-10,14,17,20H,3-5,7,11-13,15-16H2,(H,24,27)