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

Systemtic Name: ethyl 2-[(4-bromophenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(4-bromophenyl)sulfonylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[(4-bromophenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-(brosylamino)-6-(tosylamino)hexanoic acid ethyl ester Formula: C21H27BrN2O6S2 MolecularWeight: 547.48288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H27BrN2O6S2/c1-3-30-21(25)20(24-32(28,29)19-13-9-17(22)10-14-19)6-4-5-15-23-31(26,27)18-11-7-16(2)8-12-18/h7-14,20,23-24H,3-6,15H2,1-2H3