[(2S)-2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[3-[(3,4-dimethylphenyl)sulfonylamino]-1-oxopropyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-16-10-11-19(14-17(16)2)28(26,27)22-13-12-21(25)23-20(15-24(3)4)18-8-6-5-7-9-18/h5-11,14,20,22H,12-13,15H2,1-4H3,(H,23,25)/p+1/t20-/m1/s1