3-phosphono-2-[[4-(4-pyrrolidin-1-ylphenyl)phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-phosphono-2-[[4-(4-pyrrolidin-1-ylphenyl)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-phosphono-2-[[4-(4-pyrrolidin-1-ylphenyl)phenyl]sulfonylamino]propanoic acid CAS Name: 3-phosphono-2-[[4-[4-(1-pyrrolidinyl)phenyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-phosphono-2-[[4-(4-pyrrolidin-1-ylphenyl)phenyl]sulfonylamino]propanoic acid Traditional Name: 3-phosphono-2-[[4-(4-pyrrolidinophenyl)phenyl]sulfonylamino]propionic acid Formula: C19H23N2O7PS MolecularWeight: 454.433881

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CP(=O)(O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C19H23N2O7PS/c22-19(23)18(13-29(24,25)26)20-30(27,28)17-9-5-15(6-10-17)14-3-7-16(8-4-14)21-11-1-2-12-21/h3-10,18,20H,1-2,11-13H2,(H,22,23)(H2,24,25,26)