[4-(pyridin-3-ylmethylamino)phenyl] 3-(4-phosphanylphenyl)sulfonylbenzenesulfonate

Systemtic Name: [4-(pyridin-3-ylmethylamino)phenyl] 3-(4-phosphanylphenyl)sulfonylbenzenesulfonate Openeye Name: [4-(3-pyridylmethylamino)phenyl] 3-(4-phosphanylphenyl)sulfonylbenzenesulfonate CAS Name: 3-(4-phosphinophenyl)sulfonylbenzenesulfonic acid [4-(3-pyridinylmethylamino)phenyl] ester IUPAC Name: [4-(pyridin-3-ylmethylamino)phenyl] 3-(4-phosphanylphenyl)sulfonylbenzenesulfonate Traditional Name: 3-(4-phosphinophenyl)sulfonylbenzenesulfonic acid [4-(3-pyridylmethylamino)phenyl] ester Formula: C24H21N2O5PS2 MolecularWeight: 512.537701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)P

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)NCC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)P

InChI

InChI=1S/C24H21N2O5PS2/c27-33(28,22-12-10-21(32)11-13-22)23-4-1-5-24(15-23)34(29,30)31-20-8-6-19(7-9-20)26-17-18-3-2-14-25-16-18/h1-16,26H,17,32H2