[(1S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C23H31ClN3O3S+ MolecularWeight: 465.02854

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C23H30ClN3O3S/c1-26(2)21(18-10-6-5-7-11-18)17-25-23(28)19-12-13-20(24)22(16-19)31(29,30)27-14-8-3-4-9-15-27/h5-7,10-13,16,21H,3-4,8-9,14-15,17H2,1-2H3,(H,25,28)/p+1/t21-/m1/s1