(4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C20H21BrClNO4S MolecularWeight: 486.80704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2C)Br)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2C)Br)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H21BrClNO4S/c1-13-6-7-15(11-18(13)28(25,26)23-8-4-3-5-9-23)20(24)27-19-14(2)10-16(21)12-17(19)22/h6-7,10-12H,3-5,8-9H2,1-2H3