[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 2,3-dimethoxy-5-morpholinosulfonyl-benzoate CAS Name: 2,3-dimethoxy-5-(4-morpholinylsulfonyl)benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2,3-dimethoxy-5-morpholinosulfonyl-benzoic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C21H30N2O8S MolecularWeight: 470.5365

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NC3CCCCC3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC(=O)NC3CCCCC3)OC

InChI

InChI=1S/C21H30N2O8S/c1-28-18-13-16(32(26,27)23-8-10-30-11-9-23)12-17(20(18)29-2)21(25)31-14-19(24)22-15-6-4-3-5-7-15/h12-13,15H,3-11,14H2,1-2H3,(H,22,24)