[(1S)-2-[[2,4-bis(methylsulfonyl)phenyl]amino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[[2,4-bis(methylsulfonyl)phenyl]amino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[2,4-bis(methylsulfonyl)anilino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[2,4-bis(methylsulfonyl)anilino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[2,4-bis(methylsulfonyl)anilino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-(2,4-dimesylanilino)-1-phenyl-ethyl]-diethyl-ammonium Formula: C20H29N2O4S2+ MolecularWeight: 425.58526

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C20H28N2O4S2/c1-5-22(6-2)19(16-10-8-7-9-11-16)15-21-18-13-12-17(27(3,23)24)14-20(18)28(4,25)26/h7-14,19,21H,5-6,15H2,1-4H3/p+1/t19-/m1/s1