[(1R)-2-[[2,4-bis(methylsulfonyl)phenyl]amino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[[2,4-bis(methylsulfonyl)phenyl]amino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[2,4-bis(methylsulfonyl)anilino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[2,4-bis(methylsulfonyl)anilino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[2,4-bis(methylsulfonyl)anilino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-(2,4-dimesylanilino)-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C16H23N2O4S3+ MolecularWeight: 403.55982

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)C)C2=CC=CS2

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)C)C2=CC=CS2

InChI

InChI=1S/C16H22N2O4S3/c1-18(2)14(15-6-5-9-23-15)11-17-13-8-7-12(24(3,19)20)10-16(13)25(4,21)22/h5-10,14,17H,11H2,1-4H3/p+1/t14-/m1/s1