(6,6-dimethyl-5-sulfamoyl-heptan-2-yl) benzoate

Systemtic Name: (6,6-dimethyl-5-sulfamoyl-heptan-2-yl) benzoate Openeye Name: (1,5,5-trimethyl-4-sulfamoyl-hexyl) benzoate CAS Name: benzoic acid (6,6-dimethyl-5-sulfamoylheptan-2-yl) ester IUPAC Name: (6,6-dimethyl-5-sulfamoylheptan-2-yl) benzoate Traditional Name: benzoic acid (1,5,5-trimethyl-4-sulfamoyl-hexyl) ester Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(C)(C)C)S(=O)(=O)N)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(CCC(C(C)(C)C)S(=O)(=O)N)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H25NO4S/c1-12(21-15(18)13-8-6-5-7-9-13)10-11-14(16(2,3)4)22(17,19)20/h5-9,12,14H,10-11H2,1-4H3,(H2,17,19,20)