methyl 4-[(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-[(2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoate CAS Name: 4-[[[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-[(2-bromo-5-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid methyl ester Formula: C19H19BrN2O5S MolecularWeight: 467.33356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C19H19BrN2O5S/c1-27-19(24)13-4-6-14(7-5-13)21-18(23)16-12-15(8-9-17(16)20)28(25,26)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3,(H,21,23)