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

Systemtic Name: 3-[[azepan-1-ylcarbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]benzenecarboximidamide Openeye Name: 3-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]benzamidine CAS Name: 3-[[[1-azepanyl(oxo)methyl]-(2-naphthalenylsulfonylamino)amino]methyl]benzenecarboximidamide IUPAC Name: 3-[[azepane-1-carbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]benzenecarboximidamide Traditional Name: 3-[[azepane-1-carbonyl-(2-naphthylsulfonylamino)amino]methyl]benzamidine Formula: C25H29N5O3S MolecularWeight: 479.59446

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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)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O3S/c26-24(27)22-11-7-8-19(16-22)18-30(25(31)29-14-5-1-2-6-15-29)28-34(32,33)23-13-12-20-9-3-4-10-21(20)17-23/h3-4,7-13,16-17,28H,1-2,5-6,14-15,18H2,(H3,26,27)