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

Systemtic Name: methyl 6-[(4-bromophenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(4-bromophenyl)sulfonylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-bromophenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-bromophenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(brosylamino)-2-(tosylamino)hexanoic acid methyl ester Formula: C20H25BrN2O6S2 MolecularWeight: 533.4563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C20H25BrN2O6S2/c1-15-6-10-18(11-7-15)31(27,28)23-19(20(24)29-2)5-3-4-14-22-30(25,26)17-12-8-16(21)9-13-17/h6-13,19,22-23H,3-5,14H2,1-2H3