methyl 3-[[2-(ethoxycarbonylamino)-4-methyl-pentyl]sulfamoyl]-4-methyl-benzoate

Systemtic Name: methyl 3-[[2-(ethoxycarbonylamino)-4-methyl-pentyl]sulfamoyl]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(ethoxycarbonylamino)-4-methyl-pentyl]sulfamoyl]-4-methyl-benzoate CAS Name: 3-[[2-(ethoxycarbonylamino)-4-methylpentyl]sulfamoyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(ethoxycarbonylamino)-4-methylpentyl]sulfamoyl]-4-methylbenzoate Traditional Name: 3-[[2-(carbethoxyamino)-4-methyl-pentyl]sulfamoyl]-4-methyl-benzoic acid methyl ester Formula: C18H28N2O6S MolecularWeight: 400.48972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC(C)C)CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OC)C

Isomeric SMILES

CCOC(=O)NC(CC(C)C)CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OC)C

InChI

InChI=1S/C18H28N2O6S/c1-6-26-18(22)20-15(9-12(2)3)11-19-27(23,24)16-10-14(17(21)25-5)8-7-13(16)4/h7-8,10,12,15,19H,6,9,11H2,1-5H3,(H,20,22)