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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-ethanoylphenyl)sulfonylamino]propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetylphenyl)sulfonylamino]propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCCCCCC1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCCCCCC1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H28N2O6S/c1-15(21-29(26,27)18-10-8-17(9-11-18)16(2)23)20(25)28-14-19(24)22-12-6-4-3-5-7-13-22/h8-11,15,21H,3-7,12-14H2,1-2H3/t15-/m0/s1