[3-[(2-chlorophenyl)carbonylamino]phenyl] 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [3-[(2-chlorophenyl)carbonylamino]phenyl] 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [3-[(2-chlorobenzoyl)amino]phenyl] 4-bromo-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-bromo-3-(1-piperidinylsulfonyl)benzoic acid [3-[[(2-chlorophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [3-[(2-chlorobenzoyl)amino]phenyl] 4-bromo-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-piperidinosulfonyl-benzoic acid [3-[(2-chlorobenzoyl)amino]phenyl] ester Formula: C25H22BrClN2O5S MolecularWeight: 577.87458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4Cl)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4Cl)Br

InChI

InChI=1S/C25H22BrClN2O5S/c26-21-12-11-17(15-23(21)35(32,33)29-13-4-1-5-14-29)25(31)34-19-8-6-7-18(16-19)28-24(30)20-9-2-3-10-22(20)27/h2-3,6-12,15-16H,1,4-5,13-14H2,(H,28,30)