[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate CAS Name: 3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 3-(2,6-dimethylmorpholino)sulfonylbenzoic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3CCCC3

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3CCCC3

InChI

InChI=1S/C20H28N2O6S/c1-14-11-22(12-15(2)28-14)29(25,26)18-9-5-6-16(10-18)20(24)27-13-19(23)21-17-7-3-4-8-17/h5-6,9-10,14-15,17H,3-4,7-8,11-13H2,1-2H3,(H,21,23)