4-[(1S)-1-(4-methylphenyl)sulfonyliminoazaniumylethyl]benzoate

Systemtic Name: 4-[(1S)-1-(4-methylphenyl)sulfonyliminoazaniumylethyl]benzoate Openeye Name: 4-[(1S)-1-(p-tolylsulfonyliminoammonio)ethyl]benzoate CAS Name: 4-[(1S)-1-(4-methylphenyl)sulfonyliminoammonioethyl]benzoate IUPAC Name: 4-[(1S)-1-(4-methylphenyl)sulfonyliminoazaniumylethyl]benzoate Traditional Name: 4-[(1S)-1-tosyliminoammonioethyl]benzoate Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4S/c1-11-3-9-15(10-4-11)23(21,22)18-17-12(2)13-5-7-14(8-6-13)16(19)20/h3-10,12H,1-2H3,(H,19,20)/t12-/m0/s1