(4-bromophenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-bromophenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-bromophenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (4-bromophenyl) ester Formula: C19H20BrNO4S MolecularWeight: 438.3354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)Br)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)Br)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H20BrNO4S/c1-14-5-6-15(19(22)25-17-9-7-16(20)8-10-17)13-18(14)26(23,24)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12H2,1H3