[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [4-[methyl(p-tolylsulfonyl)amino]phenyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [4-[methyl(tosyl)amino]phenyl] ester Formula: C26H30BrNO4S MolecularWeight: 532.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C26H30BrNO4S/c1-18-3-9-23(10-4-18)33(30,31)28(2)21-5-7-22(8-6-21)32-24(29)16-25-12-19-11-20(13-25)15-26(27,14-19)17-25/h3-10,19-20H,11-17H2,1-2H3