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

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C19H19BrClNO5S MolecularWeight: 488.77986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3)Cl)Br

InChI

InChI=1S/C19H19BrClNO5S/c1-12-9-14(20)11-15(21)18(12)27-19(23)13-5-6-16(26-2)17(10-13)28(24,25)22-7-3-4-8-22/h5-6,9-11H,3-4,7-8H2,1-2H3