[2-bromanyl-4-[(4-methylphenyl)sulfonyl-phenoxycarbonyl-amino]phenyl] phenyl carbonate

Systemtic Name: [2-bromanyl-4-[(4-methylphenyl)sulfonyl-phenoxycarbonyl-amino]phenyl] phenyl carbonate Openeye Name: [2-bromo-4-[phenoxycarbonyl(p-tolylsulfonyl)amino]phenyl] phenyl carbonate CAS Name: carbonic acid [2-bromo-4-[(4-methylphenyl)sulfonyl-[oxo(phenoxy)methyl]amino]phenyl] phenyl ester IUPAC Name: [2-bromo-4-[(4-methylphenyl)sulfonyl-phenoxycarbonylamino]phenyl] phenyl carbonate Traditional Name: carbonic acid [2-bromo-4-[carbophenoxy(tosyl)amino]phenyl] phenyl ester Formula: C27H20BrNO7S MolecularWeight: 582.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=C(C=C2)OC(=O)OC3=CC=CC=C3)Br)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=C(C=C2)OC(=O)OC3=CC=CC=C3)Br)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H20BrNO7S/c1-19-12-15-23(16-13-19)37(32,33)29(26(30)34-21-8-4-2-5-9-21)20-14-17-25(24(28)18-20)36-27(31)35-22-10-6-3-7-11-22/h2-18H,1H3