[(1S)-2-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[3-[(2,5-dimethylphenyl)sulfonylamino]-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[3-[(2,5-dimethylphenyl)sulfonylamino]propanoylamino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C21H29N3O3S/c1-16-10-11-17(2)20(14-16)28(26,27)23-13-12-21(25)22-15-19(24(3)4)18-8-6-5-7-9-18/h5-11,14,19,23H,12-13,15H2,1-4H3,(H,22,25)/p+1/t19-/m1/s1