[2-[[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[4-(azepan-1-ylsulfonyl)benzoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H31N3O3S/c1-25(2)18-21-10-6-5-9-20(21)17-24-23(27)19-11-13-22(14-12-19)30(28,29)26-15-7-3-4-8-16-26/h5-6,9-14H,3-4,7-8,15-18H2,1-2H3,(H,24,27)/p+1