[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-2-[[(E)-styryl]sulfonylamino]propanoate CAS Name: (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate Traditional Name: (2S)-2-[[(E)-styryl]sulfonylamino]propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCCCCCC1)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S/c1-17(21-28(25,26)15-12-18-10-6-5-7-11-18)20(24)27-16-19(23)22-13-8-3-2-4-9-14-22/h5-7,10-12,15,17,21H,2-4,8-9,13-14,16H2,1H3/b15-12+/t17-/m0/s1