N-[3-[2-(4-cyanophenyl)propanoyl]-2-(isoquinolin-5-ylsulfamoyl)-2-methyl-3-phenyl-pyrrolidin-1-yl]propanamide

Systemtic Name: N-[3-[2-(4-cyanophenyl)propanoyl]-2-(isoquinolin-5-ylsulfamoyl)-2-methyl-3-phenyl-pyrrolidin-1-yl]propanamide Openeye Name: N-[3-[2-(4-cyanophenyl)propanoyl]-2-(5-isoquinolylsulfamoyl)-2-methyl-3-phenyl-pyrrolidin-1-yl]propanamide CAS Name: N-[3-[2-(4-cyanophenyl)-1-oxopropyl]-2-(5-isoquinolinylsulfamoyl)-2-methyl-3-phenyl-1-pyrrolidinyl]propanamide IUPAC Name: N-[3-[2-(4-cyanophenyl)propanoyl]-2-(isoquinolin-5-ylsulfamoyl)-2-methyl-3-phenylpyrrolidin-1-yl]propanamide Traditional Name: N-[3-[2-(4-cyanophenyl)propanoyl]-2-(5-isoquinolylsulfamoyl)-2-methyl-3-phenyl-pyrrolidino]propionamide Formula: C33H33N5O4S MolecularWeight: 595.71122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NN1CCC(C1(C)S(=O)(=O)NC2=CC=CC3=C2C=CN=C3)(C4=CC=CC=C4)C(=O)C(C)C5=CC=C(C=C5)C#N

Isomeric SMILES

CCC(=O)NN1CCC(C1(C)S(=O)(=O)NC2=CC=CC3=C2C=CN=C3)(C4=CC=CC=C4)C(=O)C(C)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C33H33N5O4S/c1-4-30(39)36-38-20-18-33(27-10-6-5-7-11-27,31(40)23(2)25-15-13-24(21-34)14-16-25)32(38,3)43(41,42)37-29-12-8-9-26-22-35-19-17-28(26)29/h5-17,19,22-23,37H,4,18,20H2,1-3H3,(H,36,39)