[1-[[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]methyl]cyclohexyl]-dimethyl-azanium

Systemtic Name: [1-[[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]methyl]cyclohexyl]-dimethyl-azanium Openeye Name: [1-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]cyclohexyl]-dimethyl-ammonium CAS Name: [1-[[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]methyl]cyclohexyl]-dimethylammonium IUPAC Name: [1-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]cyclohexyl]-dimethylazanium Traditional Name: [1-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]cyclohexyl]-dimethyl-ammonium Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[NH+](C)C1(CCCCC1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H35N3O3S/c1-24(2)22(14-6-5-7-15-22)18-23-21(26)19-10-12-20(13-11-19)29(27,28)25-16-8-3-4-9-17-25/h10-13H,3-9,14-18H2,1-2H3,(H,23,26)/p+1