ethyl 4-[4-[[4-bromanyl-2-(phenylcarbonyl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[4-bromanyl-2-(phenylcarbonyl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(2-benzoyl-4-bromo-phenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[(2-benzoyl-4-bromoanilino)-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-benzoyl-4-bromophenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(2-benzoyl-4-bromo-phenyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C27H26BrN3O6S MolecularWeight: 600.48084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26BrN3O6S/c1-2-37-27(34)30-14-16-31(17-15-30)38(35,36)22-11-8-20(9-12-22)26(33)29-24-13-10-21(28)18-23(24)25(32)19-6-4-3-5-7-19/h3-13,18H,2,14-17H2,1H3,(H,29,33)