N-(2-methylpropyl)-4-nitro-N-[2-oxidanyl-4-phenyl-3-(phosphanylamino)butyl]benzenesulfonamide

Systemtic Name: N-(2-methylpropyl)-4-nitro-N-[2-oxidanyl-4-phenyl-3-(phosphanylamino)butyl]benzenesulfonamide Openeye Name: N-[2-hydroxy-4-phenyl-3-(phosphanylamino)butyl]-N-isobutyl-4-nitro-benzenesulfonamide CAS Name: N-[2-hydroxy-4-phenyl-3-(phosphinoamino)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide IUPAC Name: N-[2-hydroxy-4-phenyl-3-(phosphanylamino)butyl]-N-(2-methylpropyl)-4-nitrobenzenesulfonamide Traditional Name: N-[2-hydroxy-4-phenyl-3-(phosphinoamino)butyl]-N-isobutyl-4-nitro-benzenesulfonamide Formula: C20H28N3O5PS MolecularWeight: 453.492181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NP)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NP)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H28N3O5PS/c1-15(2)13-22(30(27,28)18-10-8-17(9-11-18)23(25)26)14-20(24)19(21-29)12-16-6-4-3-5-7-16/h3-11,15,19-21,24H,12-14,29H2,1-2H3