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

Systemtic Name: 4-[(4-bromanyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 4-[(4-bromo-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoic acid CAS Name: 4-[[[4-bromo-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(4-bromo-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 4-[(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=C(C=C3)C(=O)O)Br

Isomeric SMILES

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

InChI

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