tert-butyl 4-[4-[[4-[(4-bromophenyl)sulfonylamino]phenyl]carbonylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[4-[(4-bromophenyl)sulfonylamino]phenyl]carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[4-[(4-bromophenyl)sulfonylamino]benzoyl]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[[4-[(4-bromophenyl)sulfonylamino]phenyl]-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[4-[(4-bromophenyl)sulfonylamino]benzoyl]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[4-(brosylamino)benzoyl]amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H31BrN4O5S MolecularWeight: 615.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C28H31BrN4O5S/c1-28(2,3)38-27(35)33-18-16-32(17-19-33)24-12-10-22(11-13-24)30-26(34)20-4-8-23(9-5-20)31-39(36,37)25-14-6-21(29)7-15-25/h4-15,31H,16-19H2,1-3H3,(H,30,34)