N-[3-[4-(azanylmethylideneamino)phenyl]-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide

Systemtic Name: N-[3-[4-(azanylmethylideneamino)phenyl]-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide Openeye Name: N-[1-[[4-(aminomethyleneamino)phenyl]methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-(2-naphthylsulfonylamino)acetamide CAS Name: N-[3-[4-(aminomethylideneamino)phenyl]-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-(2-naphthalenylsulfonylamino)acetamide IUPAC Name: N-[3-[4-(aminomethylideneamino)phenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide Traditional Name: N-[1-[4-(aminomethyleneamino)benzyl]-2-keto-2-piperidino-ethyl]-2-(2-naphthylsulfonylamino)acetamide Formula: C27H31N5O4S MolecularWeight: 521.63114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)N=CN)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)N=CN)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31N5O4S/c28-19-29-23-11-8-20(9-12-23)16-25(27(34)32-14-4-1-5-15-32)31-26(33)18-30-37(35,36)24-13-10-21-6-2-3-7-22(21)17-24/h2-3,6-13,17,19,25,30H,1,4-5,14-16,18H2,(H2,28,29)(H,31,33)