3-[(4-bromanyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 3-[(4-bromanyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-[(4-bromo-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoic acid CAS Name: 3-[[[4-bromo-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(4-bromo-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-[(4-bromo-3-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid Formula: C18H17BrN2O5S MolecularWeight: 453.30698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)Br

InChI

InChI=1S/C18H17BrN2O5S/c19-15-7-6-12(11-16(15)27(25,26)21-8-1-2-9-21)17(22)20-14-5-3-4-13(10-14)18(23)24/h3-7,10-11H,1-2,8-9H2,(H,20,22)(H,23,24)