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

Systemtic Name: (3S)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C20H28N3O3S3+ MolecularWeight: 454.64962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C20H27N3O3S3/c24-20(21-14-17(18-7-4-12-27-18)22-9-1-2-10-22)16-6-3-11-23(15-16)29(25,26)19-8-5-13-28-19/h4-5,7-8,12-13,16-17H,1-3,6,9-11,14-15H2,(H,21,24)/p+1/t16-,17-/m0/s1