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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 3-[(4-isopropylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-cumenylsulfonylamino)propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-17(2)18-8-10-19(11-9-18)29(26,27)22-13-12-21(25)28-16-20(24)23-14-6-4-3-5-7-15-23/h8-11,17,22H,3-7,12-16H2,1-2H3