(2S)-N-[2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonyl-phenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonyl-phenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-(4-ethoxyphenoxy)-5-morpholinosulfonyl-phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-(4-ethoxyphenoxy)-5-(4-morpholinylsulfonyl)phenyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(4-ethoxyphenoxy)-5-morpholinosulfonyl-phenyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C28H31N3O7S2 MolecularWeight: 585.69164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4CCCN4C(=O)C5=CC=CS5

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)[C@@H]4CCCN4C(=O)C5=CC=CS5

InChI

InChI=1S/C28H31N3O7S2/c1-2-37-20-7-9-21(10-8-20)38-25-12-11-22(40(34,35)30-14-16-36-17-15-30)19-23(25)29-27(32)24-5-3-13-31(24)28(33)26-6-4-18-39-26/h4,6-12,18-19,24H,2-3,5,13-17H2,1H3,(H,29,32)/t24-/m0/s1