[4-(1,3-thiazol-2-ylmethylamino)phenyl] 3-(4-phosphanylphenyl)sulfonylbenzenesulfonate

Systemtic Name: [4-(1,3-thiazol-2-ylmethylamino)phenyl] 3-(4-phosphanylphenyl)sulfonylbenzenesulfonate Openeye Name: [4-(thiazol-2-ylmethylamino)phenyl] 3-(4-phosphanylphenyl)sulfonylbenzenesulfonate CAS Name: 3-(4-phosphinophenyl)sulfonylbenzenesulfonic acid [4-(2-thiazolylmethylamino)phenyl] ester IUPAC Name: [4-(1,3-thiazol-2-ylmethylamino)phenyl] 3-(4-phosphanylphenyl)sulfonylbenzenesulfonate Traditional Name: 3-(4-phosphinophenyl)sulfonylbenzenesulfonic acid [4-(thiazol-2-ylmethylamino)phenyl] ester Formula: C22H19N2O5PS3 MolecularWeight: 518.565421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)NCC3=NC=CS3)S(=O)(=O)C4=CC=C(C=C4)P

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)NCC3=NC=CS3)S(=O)(=O)C4=CC=C(C=C4)P

InChI

InChI=1S/C22H19N2O5PS3/c25-32(26,19-10-8-18(30)9-11-19)20-2-1-3-21(14-20)33(27,28)29-17-6-4-16(5-7-17)24-15-22-23-12-13-31-22/h1-14,24H,15,30H2