[2-(hexylamino)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=CC(=C(C=C1)C)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=CC(=C(C=C1)C)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C20H30N2O6S/c1-3-4-5-6-9-21-19(23)15-28-20(24)17-8-7-16(2)18(14-17)29(25,26)22-10-12-27-13-11-22/h7-8,14H,3-6,9-13,15H2,1-2H3,(H,21,23)