4-[[azepan-1-ylcarbonyl-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]amino]methyl]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[[azepan-1-ylcarbonyl-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]amino]methyl]benzenecarboximidamide hydrochloride Openeye Name: 4-[[azepane-1-carbonyl-[[2-(2-naphthylsulfonylamino)acetyl]amino]amino]methyl]benzamidine hydrochloride CAS Name: 4-[[[1-azepanyl(oxo)methyl]-[[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]amino]amino]methyl]benzenecarboximidamide hydrochloride IUPAC Name: 4-[[azepane-1-carbonyl-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]amino]methyl]benzenecarboximidamide hydrochloride Traditional Name: 4-[[azepane-1-carbonyl-[[2-(2-naphthylsulfonylamino)acetyl]amino]amino]methyl]benzamidine hydrochloride Formula: C27H33ClN6O4S MolecularWeight: 573.10672

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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)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3.Cl

InChI

InChI=1S/C27H32N6O4S.ClH/c28-26(29)22-11-9-20(10-12-22)19-33(27(35)32-15-5-1-2-6-16-32)31-25(34)18-30-38(36,37)24-14-13-21-7-3-4-8-23(21)17-24;/h3-4,7-14,17,30H,1-2,5-6,15-16,18-19H2,(H3,28,29)(H,31,34);1H