2-[[3-[phenyl-[4-[(4-sulfanylphenyl)carbonylamino]phenyl]phosphinoselenoyl]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[3-[phenyl-[4-[(4-sulfanylphenyl)carbonylamino]phenyl]phosphinoselenoyl]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[3-[phenyl-[4-[(4-sulfanylbenzoyl)amino]phenyl]phosphinoselenoyl]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[3-[[4-[[(4-mercaptophenyl)-oxomethyl]amino]phenyl]-phenylphosphinoselenoyl]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[3-[phenyl-[4-[(4-sulfanylbenzoyl)amino]phenyl]phosphinoselenoyl]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[3-[[4-[(4-mercaptobenzoyl)amino]phenyl]-phenyl-selenophosphoryl]phenyl]sulfonylamino]acetic acid Formula: C27H23N2O5PS2Se MolecularWeight: 629.545681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=[Se])(C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S)C4=CC(=CC=C4)S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)P(=[Se])(C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S)C4=CC(=CC=C4)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C27H23N2O5PS2Se/c30-26(31)18-28-37(33,34)25-8-4-7-23(17-25)35(38,21-5-2-1-3-6-21)22-13-11-20(12-14-22)29-27(32)19-9-15-24(36)16-10-19/h1-17,28,36H,18H2,(H,29,32)(H,30,31)