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

Systemtic Name: [3-[(4-nitrophenyl)carbonylamino]phenyl] 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [3-[(4-nitrobenzoyl)amino]phenyl] 4-bromo-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-bromo-3-(1-piperidinylsulfonyl)benzoic acid [3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [3-[(4-nitrobenzoyl)amino]phenyl] 4-bromo-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-piperidinosulfonyl-benzoic acid [3-[(4-nitrobenzoyl)amino]phenyl] ester Formula: C25H22BrN3O7S MolecularWeight: 588.42708

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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=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C25H22BrN3O7S/c26-22-12-9-18(15-23(22)37(34,35)28-13-2-1-3-14-28)25(31)36-21-6-4-5-19(16-21)27-24(30)17-7-10-20(11-8-17)29(32)33/h4-12,15-16H,1-3,13-14H2,(H,27,30)