[3-(thiophen-2-ylcarbonylamino)phenyl] 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [3-(thiophen-2-ylcarbonylamino)phenyl] 4-bromanyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [3-(thiophene-2-carbonylamino)phenyl] 4-bromo-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-bromo-3-(1-piperidinylsulfonyl)benzoic acid [3-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [3-(thiophene-2-carbonylamino)phenyl] 4-bromo-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-piperidinosulfonyl-benzoic acid [3-(2-thenoylamino)phenyl] ester Formula: C23H21BrN2O5S2 MolecularWeight: 549.45724

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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=CS4)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC=CS4)Br

InChI

InChI=1S/C23H21BrN2O5S2/c24-19-10-9-16(14-21(19)33(29,30)26-11-2-1-3-12-26)23(28)31-18-7-4-6-17(15-18)25-22(27)20-8-5-13-32-20/h4-10,13-15H,1-3,11-12H2,(H,25,27)