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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C21H32N2O7S MolecularWeight: 456.55298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2CCCCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2CCCCCCC2)OC

InChI

InChI=1S/C21H32N2O7S/c1-28-18-11-10-17(14-19(18)29-2)31(26,27)22-13-12-21(25)30-15-20(24)23-16-8-6-4-3-5-7-9-16/h10-11,14,16,22H,3-9,12-13,15H2,1-2H3,(H,23,24)