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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6S/c1-15(20-28(24,25)17-10-8-16(26-2)9-11-17)19(23)27-14-18(22)21-12-6-4-3-5-7-13-21/h8-11,15,20H,3-7,12-14H2,1-2H3/t15-/m0/s1