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

Systemtic Name: methyl 6-[(2-bromophenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(2-bromophenyl)sulfonylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(2-bromophenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-bromophenyl)sulfonylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(2-bromophenyl)sulfonylamino]-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=CC=C2Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=CC=CC=C2Br)C(=O)OC

InChI

InChI=1S/C20H25BrN2O6S2/c1-15-10-12-16(13-11-15)30(25,26)23-18(20(24)29-2)8-5-6-14-22-31(27,28)19-9-4-3-7-17(19)21/h3-4,7,9-13,18,22-23H,5-6,8,14H2,1-2H3