4-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-pyrrolidinosulfonylbenzoyl)amino]methyl]benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c22-18(20-13-14-3-5-16(6-4-14)19(23)24)15-7-9-17(10-8-15)27(25,26)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22)(H,23,24)