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

Systemtic Name: phenyl 4-[(4-bromanyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: phenyl 4-[[4-bromo-3-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 4-[[[4-bromo-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid phenyl ester IUPAC Name: phenyl 4-[(4-bromo-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-[(4-bromo-3-piperidinosulfonyl-benzoyl)amino]benzoic acid phenyl ester Formula: C25H23BrN2O5S MolecularWeight: 543.42952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC4=CC=CC=C4)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC4=CC=CC=C4)Br

InChI

InChI=1S/C25H23BrN2O5S/c26-22-14-11-19(17-23(22)34(31,32)28-15-5-2-6-16-28)24(29)27-20-12-9-18(10-13-20)25(30)33-21-7-3-1-4-8-21/h1,3-4,7-14,17H,2,5-6,15-16H2,(H,27,29)