4-[[azepan-1-ylcarbonyl-[[2-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanoyl]amino]amino]methyl]benzenecarboximidamide

Systemtic Name: 4-[[azepan-1-ylcarbonyl-[[2-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanoyl]amino]amino]methyl]benzenecarboximidamide Openeye Name: 4-[[azepane-1-carbonyl-[[2-(2-naphthylsulfonylamino)-3-phenyl-propanoyl]amino]amino]methyl]benzamidine CAS Name: 4-[[[1-azepanyl(oxo)methyl]-[[2-(2-naphthalenylsulfonylamino)-1-oxo-3-phenylpropyl]amino]amino]methyl]benzenecarboximidamide IUPAC Name: 4-[[azepane-1-carbonyl-[[2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoyl]amino]amino]methyl]benzenecarboximidamide Traditional Name: 4-[[azepane-1-carbonyl-[[2-(2-naphthylsulfonylamino)-3-phenyl-propanoyl]amino]amino]methyl]benzamidine Formula: C34H38N6O4S MolecularWeight: 626.76832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)C(=N)N)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)C(=N)N)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C34H38N6O4S/c35-32(36)28-16-14-26(15-17-28)24-40(34(42)39-20-8-1-2-9-21-39)37-33(41)31(22-25-10-4-3-5-11-25)38-45(43,44)30-19-18-27-12-6-7-13-29(27)23-30/h3-7,10-19,23,31,38H,1-2,8-9,20-22,24H2,(H3,35,36)(H,37,41)