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

Systemtic Name: N-[3-[4-[(tert-butylamino)methyl]phenyl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanamide Openeye Name: N-[1-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-oxo-2-pyrrolidin-1-yl-ethyl]-3-(2-naphthylsulfonylamino)-3-phenyl-propanamide CAS Name: N-[3-[4-[(tert-butylamino)methyl]phenyl]-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-3-(2-naphthalenylsulfonylamino)-3-phenylpropanamide IUPAC Name: N-[3-[4-[(tert-butylamino)methyl]phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide Traditional Name: N-[1-[4-[(tert-butylamino)methyl]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:

CC(C)(C)NCC1=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

CC(C)(C)NCC1=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/c1-37(2,3)38-26-28-17-15-27(16-18-28)23-34(36(43)41-21-9-10-22-41)39-35(42)25-33(30-12-5-4-6-13-30)40-46(44,45)32-20-19-29-11-7-8-14-31(29)24-32/h4-8,11-20,24,33-34,38,40H,9-10,21-23,25-26H2,1-3H3,(H,39,42)