[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C21H32N2O6S MolecularWeight: 440.55358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2CCCCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2CCCCCCC2

InChI

InChI=1S/C21H32N2O6S/c1-2-28-18-10-12-19(13-11-18)30(26,27)22-15-14-21(25)29-16-20(24)23-17-8-6-4-3-5-7-9-17/h10-13,17,22H,2-9,14-16H2,1H3,(H,23,24)