N-[3-[4-(butylaminomethyl)phenyl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanamide

Systemtic Name: N-[3-[4-(butylaminomethyl)phenyl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanamide Openeye Name: N-[1-[[4-(butylaminomethyl)phenyl]methyl]-2-oxo-2-pyrrolidin-1-yl-ethyl]-3-(2-naphthylsulfonylamino)-3-phenyl-propanamide CAS Name: N-[3-[4-(butylaminomethyl)phenyl]-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-3-(2-naphthalenylsulfonylamino)-3-phenylpropanamide IUPAC Name: N-[3-[4-(butylaminomethyl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide Traditional Name: N-[1-[4-(butylaminomethyl)benzyl]-2-keto-2-pyrrolidino-ethyl]-3-(2-naphthylsulfonylamino)-3-phenyl-propionamide Formula: C37H44N4O4S MolecularWeight: 640.83466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC=C(C=C1)CC(C(=O)N2CCCC2)NC(=O)CC(C3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCCCNCC1=CC=C(C=C1)CC(C(=O)N2CCCC2)NC(=O)CC(C3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C37H44N4O4S/c1-2-3-21-38-27-29-17-15-28(16-18-29)24-35(37(43)41-22-9-10-23-41)39-36(42)26-34(31-12-5-4-6-13-31)40-46(44,45)33-20-19-30-11-7-8-14-32(30)25-33/h4-8,11-20,25,34-35,38,40H,2-3,9-10,21-24,26-27H2,1H3,(H,39,42)