[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-3-methyl-2-[[(E)-styryl]sulfonylamino]butanoate CAS Name: (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-[[(E)-styryl]sulfonylamino]butyric acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5S/c1-18(2)21(23-30(27,28)16-13-19-11-7-6-8-12-19)22(26)29-17-20(25)24-14-9-4-3-5-10-15-24/h6-8,11-13,16,18,21,23H,3-5,9-10,14-15,17H2,1-2H3/b16-13+/t21-/m0/s1