[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC(=O)N2CCCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N2CCCCCCC2

InChI

InChI=1S/C19H28N2O5S/c1-15-8-10-17(11-9-15)27(24,25)20-16(2)19(23)26-14-18(22)21-12-6-4-3-5-7-13-21/h8-11,16,20H,3-7,12-14H2,1-2H3/t16-/m0/s1