(2S)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-[oxo(thiophen-2-yl)methyl]-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-piperidinosulfonylbenzyl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C22H27N3O4S2/c26-21(19-6-4-14-25(19)22(27)20-7-5-15-30-20)23-16-17-8-10-18(11-9-17)31(28,29)24-12-2-1-3-13-24/h5,7-11,15,19H,1-4,6,12-14,16H2,(H,23,26)/t19-/m0/s1