[(2S)-3-[(2-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: [(2S)-3-[(2-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [(2S)-2-hydroxy-3-[2-methoxy-N-(p-tolylsulfonyl)anilino]propyl]-dimethyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]-dimethylammonium IUPAC Name: [(2S)-2-hydroxy-3-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]-dimethylazanium Traditional Name: [(2S)-2-hydroxy-3-(2-methoxy-N-tosyl-anilino)propyl]-dimethyl-ammonium Formula: C19H27N2O4S+ MolecularWeight: 379.49368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+](C)C)O)C2=CC=CC=C2OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C[NH+](C)C)O)C2=CC=CC=C2OC

InChI

InChI=1S/C19H26N2O4S/c1-15-9-11-17(12-10-15)26(23,24)21(14-16(22)13-20(2)3)18-7-5-6-8-19(18)25-4/h5-12,16,22H,13-14H2,1-4H3/p+1/t16-/m0/s1