ethyl 3-[(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 3-[(2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoate CAS Name: 3-[[[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 3-[(2-bromo-5-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid ethyl ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O5S/c1-2-28-20(25)14-6-5-7-15(12-14)22-19(24)17-13-16(8-9-18(17)21)29(26,27)23-10-3-4-11-23/h5-9,12-13H,2-4,10-11H2,1H3,(H,22,24)