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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-25(2)18-22(19-10-6-5-7-11-19)24-23(27)20-12-14-21(15-13-20)30(28,29)26-16-8-3-4-9-17-26/h5-7,10-15,22H,3-4,8-9,16-18H2,1-2H3,(H,24,27)/p+1/t22-/m1/s1