[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonyl-amino]ethanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonyl-amino]ethanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-[methyl-[(E)-styryl]sulfonyl-amino]acetate CAS Name: 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate Traditional Name: 2-[methyl-[(E)-styryl]sulfonyl-amino]acetic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)N1CCCCCCC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CN(CC(=O)OCC(=O)N1CCCCCCC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

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