[(1S)-2-(azepan-1-ylsulfonylamino)-1-(2-chlorophenyl)ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-(azepan-1-ylsulfonylamino)-1-(2-chlorophenyl)ethyl]-diethyl-azanium Openeye Name: [(1S)-2-(azepan-1-ylsulfonylamino)-1-(2-chlorophenyl)ethyl]-diethyl-ammonium CAS Name: [(1S)-2-(1-azepanylsulfonylamino)-1-(2-chlorophenyl)ethyl]-diethylammonium IUPAC Name: [(1S)-2-(azepan-1-ylsulfonylamino)-1-(2-chlorophenyl)ethyl]-diethylazanium Traditional Name: [(1S)-2-(azepan-1-ylsulfonylamino)-1-(2-chlorophenyl)ethyl]-diethyl-ammonium Formula: C18H31ClN3O2S+ MolecularWeight: 388.97564

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNS(=O)(=O)N1CCCCCC1)C2=CC=CC=C2Cl

Isomeric SMILES

CC[NH+](CC)[C@H](CNS(=O)(=O)N1CCCCCC1)C2=CC=CC=C2Cl

InChI

InChI=1S/C18H30ClN3O2S/c1-3-21(4-2)18(16-11-7-8-12-17(16)19)15-20-25(23,24)22-13-9-5-6-10-14-22/h7-8,11-12,18,20H,3-6,9-10,13-15H2,1-2H3/p+1/t18-/m1/s1