[(1S)-2-[3-[(4-ethanoylphenyl)sulfonylamino]propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[3-[(4-ethanoylphenyl)sulfonylamino]propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[3-[(4-acetylphenyl)sulfonylamino]-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-16(25)17-9-11-19(12-10-17)29(27,28)23-14-13-21(26)22-15-20(24(2)3)18-7-5-4-6-8-18/h4-12,20,23H,13-15H2,1-3H3,(H,22,26)/p+1/t20-/m1/s1