methyl 1-[4-[(4-bromophenyl)carbonylamino]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl 1-[4-[(4-bromophenyl)carbonylamino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-[(4-bromobenzoyl)amino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[(4-bromophenyl)-oxomethyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(4-bromobenzoyl)amino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[(4-bromobenzoyl)amino]phenyl]sulfonylnipecotic acid methyl ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O5S/c1-28-20(25)15-3-2-12-23(13-15)29(26,27)18-10-8-17(9-11-18)22-19(24)14-4-6-16(21)7-5-14/h4-11,15H,2-3,12-13H2,1H3,(H,22,24)