[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O5S/c1-14(20-27(24,25)16-9-7-8-15(19)12-16)18(23)26-13-17(22)21-10-5-3-2-4-6-11-21/h7-9,12,14,20H,2-6,10-11,13H2,1H3/t14-/m0/s1