2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-chlorophenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-(azepan-1-ylsulfonyl)-2-chlorobenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C17H27ClN3O3S+ MolecularWeight: 388.93258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C17H26ClN3O3S/c1-20(2)12-9-19-17(22)15-13-14(7-8-16(15)18)25(23,24)21-10-5-3-4-6-11-21/h7-8,13H,3-6,9-12H2,1-2H3,(H,19,22)/p+1