[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-[(4-ethanoylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-[(4-ethanoylphenyl)sulfonylamino]propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetylphenyl)sulfonylamino]propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 3-[(4-acetylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetylphenyl)sulfonylamino]propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)N2CCCCCCC2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)N2CCCCCCC2

InChI

InChI=1S/C20H28N2O6S/c1-16(23)17-7-9-18(10-8-17)29(26,27)21-12-11-20(25)28-15-19(24)22-13-5-3-2-4-6-14-22/h7-10,21H,2-6,11-15H2,1H3