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

Systemtic Name: N-[3-(4-cyanophenyl)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]-2-(isoquinolin-5-ylsulfamoyl)-2-methyl-3-phenyl-propanamide Openeye Name: N-[1-[(4-cyanophenyl)methyl]-2-oxo-2-pyrrolidin-1-yl-ethyl]-2-(5-isoquinolylsulfamoyl)-2-methyl-3-phenyl-propanamide CAS Name: N-[3-(4-cyanophenyl)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-2-(5-isoquinolinylsulfamoyl)-2-methyl-3-phenylpropanamide IUPAC Name: N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2-(isoquinolin-5-ylsulfamoyl)-2-methyl-3-phenylpropanamide Traditional Name: N-[1-(4-cyanobenzyl)-2-keto-2-pyrrolidino-ethyl]-2-(5-isoquinolylsulfamoyl)-2-methyl-3-phenyl-propionamide Formula: C33H33N5O4S MolecularWeight: 595.71122

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)NC(CC2=CC=C(C=C2)C#N)C(=O)N3CCCC3)S(=O)(=O)NC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)NC(CC2=CC=C(C=C2)C#N)C(=O)N3CCCC3)S(=O)(=O)NC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C33H33N5O4S/c1-33(21-25-8-3-2-4-9-25,43(41,42)37-29-11-7-10-27-23-35-17-16-28(27)29)32(40)36-30(31(39)38-18-5-6-19-38)20-24-12-14-26(22-34)15-13-24/h2-4,7-17,23,30,37H,5-6,18-21H2,1H3,(H,36,40)