3-[[azepan-1-ylcarbonyl-[(2-fluorophenyl)methylsulfonylamino]amino]methyl]benzenecarboximidamide

Systemtic Name: 3-[[azepan-1-ylcarbonyl-[(2-fluorophenyl)methylsulfonylamino]amino]methyl]benzenecarboximidamide Openeye Name: 3-[[azepane-1-carbonyl-[(2-fluorophenyl)methylsulfonylamino]amino]methyl]benzamidine CAS Name: 3-[[[1-azepanyl(oxo)methyl]-[(2-fluorophenyl)methylsulfonylamino]amino]methyl]benzenecarboximidamide IUPAC Name: 3-[[azepane-1-carbonyl-[(2-fluorophenyl)methylsulfonylamino]amino]methyl]benzenecarboximidamide Traditional Name: 3-[[azepane-1-carbonyl-[(2-fluorobenzyl)sulfonylamino]amino]methyl]benzamidine Formula: C22H28FN5O3S MolecularWeight: 461.552823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)N(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)CC3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)C(=O)N(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)CC3=CC=CC=C3F

InChI

InChI=1S/C22H28FN5O3S/c23-20-11-4-3-9-19(20)16-32(30,31)26-28(22(29)27-12-5-1-2-6-13-27)15-17-8-7-10-18(14-17)21(24)25/h3-4,7-11,14,26H,1-2,5-6,12-13,15-16H2,(H3,24,25)