(3-benzamidophenyl) 4-bromanyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-benzamidophenyl) 4-bromanyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3-benzamidophenyl) 4-bromo-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-bromo-3-(1-pyrrolidinylsulfonyl)benzoic acid (3-benzamidophenyl) ester IUPAC Name: (3-benzamidophenyl) 4-bromo-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-bromo-3-pyrrolidinosulfonyl-benzoic acid (3-benzamidophenyl) ester Formula: C24H21BrN2O5S MolecularWeight: 529.40294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C24H21BrN2O5S/c25-21-12-11-18(15-22(21)33(30,31)27-13-4-5-14-27)24(29)32-20-10-6-9-19(16-20)26-23(28)17-7-2-1-3-8-17/h1-3,6-12,15-16H,4-5,13-14H2,(H,26,28)