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

Systemtic Name: (2-bromophenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-bromophenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2-bromophenyl) ester IUPAC Name: (2-bromophenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-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=CC=C2Br)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2Br)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H20BrNO4S/c1-14-9-10-15(19(22)25-17-8-4-3-7-16(17)20)13-18(14)26(23,24)21-11-5-2-6-12-21/h3-4,7-10,13H,2,5-6,11-12H2,1H3