diethyl 2-butyl-2-[3-oxidanylidene-3-[(4-sulfamoylphenyl)methylamino]propyl]propanedioate

Systemtic Name: diethyl 2-butyl-2-[3-oxidanylidene-3-[(4-sulfamoylphenyl)methylamino]propyl]propanedioate Openeye Name: diethyl 2-butyl-2-[3-oxo-3-[(4-sulfamoylphenyl)methylamino]propyl]propanedioate CAS Name: 2-butyl-2-[3-oxo-3-[(4-sulfamoylphenyl)methylamino]propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-butyl-2-[3-oxo-3-[(4-sulfamoylphenyl)methylamino]propyl]propanedioate Traditional Name: 2-butyl-2-[3-keto-3-[(4-sulfamoylbenzyl)amino]propyl]malonic acid diethyl ester Formula: C21H32N2O7S MolecularWeight: 456.55298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCC(CCC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H32N2O7S/c1-4-7-13-21(19(25)29-5-2,20(26)30-6-3)14-12-18(24)23-15-16-8-10-17(11-9-16)31(22,27)28/h8-11H,4-7,12-15H2,1-3H3,(H,23,24)(H2,22,27,28)