(4-bromophenyl) 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-bromophenyl) 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-bromophenyl) 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,4-dimethylphenyl)sulfonylisonipecotic acid (4-bromophenyl) ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C20H22BrNO4S/c1-14-3-8-19(15(2)13-14)27(24,25)22-11-9-16(10-12-22)20(23)26-18-6-4-17(21)5-7-18/h3-8,13,16H,9-12H2,1-2H3