dimethyl-[(1S)-1-phenyl-2-[3-(phenylsulfonyl)propanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[3-(phenylsulfonyl)propanoylamino]ethyl]azanium Openeye Name: [(1S)-2-[3-(benzenesulfonyl)propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[3-(benzenesulfonyl)propanoylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-(3-besylpropanoylamino)-1-phenyl-ethyl]-dimethyl-ammonium Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C19H24N2O3S/c1-21(2)18(16-9-5-3-6-10-16)15-20-19(22)13-14-25(23,24)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,20,22)/p+1/t18-/m1/s1