[2-(azepan-1-ylsulfonylamino)phenyl]methylazanium

Systemtic Name: [2-(azepan-1-ylsulfonylamino)phenyl]methylazanium Openeye Name: [2-(azepan-1-ylsulfonylamino)phenyl]methylammonium CAS Name: [2-(1-azepanylsulfonylamino)phenyl]methylammonium IUPAC Name: [2-(azepan-1-ylsulfonylamino)phenyl]methylazanium Traditional Name: [2-(azepan-1-ylsulfonylamino)benzyl]ammonium Formula: C13H22N3O2S+ MolecularWeight: 284.39768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC2=CC=CC=C2C[NH3+]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC2=CC=CC=C2C[NH3+]

InChI

InChI=1S/C13H21N3O2S/c14-11-12-7-3-4-8-13(12)15-19(17,18)16-9-5-1-2-6-10-16/h3-4,7-8,15H,1-2,5-6,9-11,14H2/p+1