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

Systemtic Name: [(2S)-1-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-[[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]methyl]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-[[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]methyl]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C24H33ClN3O3S+ MolecularWeight: 479.05512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H32ClN3O3S/c1-27(2)21(16-19-10-6-5-7-11-19)18-26-24(29)20-12-13-22(25)23(17-20)32(30,31)28-14-8-3-4-9-15-28/h5-7,10-13,17,21H,3-4,8-9,14-16,18H2,1-2H3,(H,26,29)/p+1/t21-/m0/s1