ethyl 2-[(4-bromanyl-2-ethyl-phenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: ethyl 2-[(4-bromanyl-2-ethyl-phenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(4-bromo-2-ethyl-phenyl)sulfonylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[(4-bromo-2-ethylphenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-2-ethylphenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-[(4-bromo-2-ethyl-phenyl)sulfonylamino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C23H31BrN2O6S2 MolecularWeight: 575.53604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C23H31BrN2O6S2/c1-4-18-16-19(24)11-14-22(18)34(30,31)26-21(23(27)32-5-2)8-6-7-15-25-33(28,29)20-12-9-17(3)10-13-20/h9-14,16,21,25-26H,4-8,15H2,1-3H3