ethyl 2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: ethyl 2-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C22H29BrN2O7S2 MolecularWeight: 577.50886

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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=C(C=CC(=C2)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN2O7S2/c1-4-32-22(26)19(25-34(29,30)21-15-17(23)10-13-20(21)31-3)7-5-6-14-24-33(27,28)18-11-8-16(2)9-12-18/h8-13,15,19,24-25H,4-7,14H2,1-3H3