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

Systemtic Name: diethyl 2-butyl-2-[3-oxidanylidene-3-[(4-sulfamoylphenyl)amino]propyl]propanedioate Openeye Name: diethyl 2-butyl-2-[3-oxo-3-(4-sulfamoylanilino)propyl]propanedioate CAS Name: 2-butyl-2-[3-oxo-3-(4-sulfamoylanilino)propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-butyl-2-[3-oxo-3-(4-sulfamoylanilino)propyl]propanedioate Traditional Name: 2-butyl-2-[3-keto-3-(4-sulfamoylanilino)propyl]malonic acid diethyl ester Formula: C20H30N2O7S MolecularWeight: 442.5264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCC(CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C20H30N2O7S/c1-4-7-13-20(18(24)28-5-2,19(25)29-6-3)14-12-17(23)22-15-8-10-16(11-9-15)30(21,26)27/h8-11H,4-7,12-14H2,1-3H3,(H,22,23)(H2,21,26,27)