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

Systemtic Name: 4-[[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]methyl]benzoic acid CAS Name: 4-[[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]methyl]benzoic acid Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C19H19ClN2O5S/c20-16-8-7-15(11-17(16)28(26,27)22-9-1-2-10-22)18(23)21-12-13-3-5-14(6-4-13)19(24)25/h3-8,11H,1-2,9-10,12H2,(H,21,23)(H,24,25)