[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 4-[[(1S)-1-methylpropyl]sulfamoyl]benzoate CAS Name: 4-[[(2S)-butan-2-yl]sulfamoyl]benzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate Traditional Name: 4-[[(1S)-1-methylpropyl]sulfamoyl]benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-3-16(2)21-28(25,26)18-11-9-17(10-12-18)20(24)27-15-19(23)22-13-7-5-4-6-8-14-22/h9-12,16,21H,3-8,13-15H2,1-2H3/t16-/m0/s1