3-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 3-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 3-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]-N'-hydroxy-benzamidine CAS Name: 3-[[[1-azepanyl(oxo)methyl]-(2-naphthalenylsulfonylamino)amino]methyl]-N'-hydroxybenzenecarboximidamide IUPAC Name: 3-[[azepane-1-carbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]-N'-hydroxybenzenecarboximidamide Traditional Name: 3-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]-N'-hydroxy-benzamidine Formula: C25H29N5O4S MolecularWeight: 495.59386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)N(CC2=CC=CC(=C2)C(=NO)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)N(CC2=CC=CC(=C2)/C(=N/O)/N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29N5O4S/c26-24(27-32)22-11-7-8-19(16-22)18-30(25(31)29-14-5-1-2-6-15-29)28-35(33,34)23-13-12-20-9-3-4-10-21(20)17-23/h3-4,7-13,16-17,28,32H,1-2,5-6,14-15,18H2,(H2,26,27)