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

Systemtic Name: N-[3-[4-[(dibutylamino)methyl]phenyl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanamide Openeye Name: N-[1-[[4-[(dibutylamino)methyl]phenyl]methyl]-2-oxo-2-pyrrolidin-1-yl-ethyl]-3-(2-naphthylsulfonylamino)-3-phenyl-propanamide CAS Name: N-[3-[4-[(dibutylamino)methyl]phenyl]-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-3-(2-naphthalenylsulfonylamino)-3-phenylpropanamide IUPAC Name: N-[3-[4-[(dibutylamino)methyl]phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide Traditional Name: N-[1-[4-[(dibutylamino)methyl]benzyl]-2-keto-2-pyrrolidino-ethyl]-3-(2-naphthylsulfonylamino)-3-phenyl-propionamide Formula: C41H52N4O4S MolecularWeight: 696.94098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC1=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

CCCCN(CCCC)CC1=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/C41H52N4O4S/c1-3-5-24-44(25-6-4-2)31-33-20-18-32(19-21-33)28-39(41(47)45-26-12-13-27-45)42-40(46)30-38(35-15-8-7-9-16-35)43-50(48,49)37-23-22-34-14-10-11-17-36(34)29-37/h7-11,14-23,29,38-39,43H,3-6,12-13,24-28,30-31H2,1-2H3,(H,42,46)