[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 4-[[(1R)-2-methoxy-1-methyl-ethyl]sulfamoyl]benzoate CAS Name: 4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoate Traditional Name: 4-[[(1R)-2-methoxy-1-methyl-ethyl]sulfamoyl]benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCCC2

Isomeric SMILES

C[C@H](COC)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCCC2

InChI

InChI=1S/C20H30N2O6S/c1-16(14-27-2)21-29(25,26)18-10-8-17(9-11-18)20(24)28-15-19(23)22-12-6-4-3-5-7-13-22/h8-11,16,21H,3-7,12-15H2,1-2H3/t16-/m1/s1