(4-bromanyl-2-chloranyl-6-methyl-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C18H17BrClNO4S MolecularWeight: 458.75388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrClNO4S/c1-12-9-14(19)11-16(20)17(12)25-18(22)13-5-4-6-15(10-13)26(23,24)21-7-2-3-8-21/h4-6,9-11H,2-3,7-8H2,1H3