[4,4-dimethyl-1,3-bis(oxidanylidene)-1-[(4-sulfamoylphenyl)amino]pentan-2-yl] octadecanoate

Systemtic Name: [4,4-dimethyl-1,3-bis(oxidanylidene)-1-[(4-sulfamoylphenyl)amino]pentan-2-yl] octadecanoate Openeye Name: [3,3-dimethyl-2-oxo-1-[(4-sulfamoylphenyl)carbamoyl]butyl] octadecanoate CAS Name: octadecanoic acid [4,4-dimethyl-1,3-dioxo-1-(4-sulfamoylanilino)pentan-2-yl] ester IUPAC Name: [4,4-dimethyl-1,3-dioxo-1-(4-sulfamoylanilino)pentan-2-yl] octadecanoate Traditional Name: stearic acid [2-keto-3,3-dimethyl-1-[(4-sulfamoylphenyl)carbamoyl]butyl] ester Formula: C31H52N2O6S MolecularWeight: 580.81938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C(=O)C(C)(C)C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C(=O)C(C)(C)C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C31H52N2O6S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(34)39-28(29(35)31(2,3)4)30(36)33-25-21-23-26(24-22-25)40(32,37)38/h21-24,28H,5-20H2,1-4H3,(H,33,36)(H2,32,37,38)