(3,4-dimethylphenyl) 4-bromanyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3,4-dimethylphenyl) 4-bromanyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3,4-dimethylphenyl) 4-bromo-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-bromo-3-(1-pyrrolidinylsulfonyl)benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 4-bromo-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-pyrrolidinosulfonyl-benzoic acid (3,4-dimethylphenyl) ester Formula: C19H20BrNO4S MolecularWeight: 438.3354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCC3)C

InChI

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