phenyl-[phenylsulfonyl-[2-(phenylsulfonylamino)ethyl]amino]phosphinate; propan-2-ylazanium

Systemtic Name: phenyl-[phenylsulfonyl-[2-(phenylsulfonylamino)ethyl]amino]phosphinate; propan-2-ylazanium Openeye Name: [2-(benzenesulfonamido)ethyl-(benzenesulfonyl)amino]-phenyl-phosphinate; isopropylammonium CAS Name: [2-(benzenesulfonamido)ethyl-(benzenesulfonyl)amino]-phenylphosphinate; propan-2-ylammonium IUPAC Name: [2-(benzenesulfonamido)ethyl-(benzenesulfonyl)amino]-phenylphosphinate; propan-2-ylazanium Traditional Name: [2-(benzenesulfonamido)ethyl-besyl-amino]-phenyl-phosphinate; isopropylammonium Formula: C23H30N3O6PS2 MolecularWeight: 539.604561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH3+].C1=CC=C(C=C1)P(=O)(N(CCNS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC(C)[NH3+].C1=CC=C(C=C1)P(=O)(N(CCNS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H21N2O6PS2.C3H9N/c23-29(24,18-10-4-1-5-11-18)22(31(27,28)20-14-8-3-9-15-20)17-16-21-30(25,26)19-12-6-2-7-13-19;1-3(2)4/h1-15,21H,16-17H2,(H,23,24);3H,4H2,1-2H3