N-[3-[methyl(phenylmethoxy)phosphinothioyl]oxypropyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-[methyl(phenylmethoxy)phosphinothioyl]oxypropyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-[benzyloxy(methyl)phosphinothioyl]oxypropyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-[methyl(phenylmethoxy)phosphinothioyl]oxypropyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-[methyl(phenylmethoxy)phosphinothioyl]oxypropyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-[benzoxy(methyl)thiophosphoryl]oxypropyl]-4-nitro-benzenesulfonamide Formula: C17H21N2O6PS2 MolecularWeight: 444.462201

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Descriptors Computed from Structure

Canonical SMILES:

CP(=S)(OCCCNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

CP(=S)(OCCCNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C17H21N2O6PS2/c1-26(27,25-14-15-6-3-2-4-7-15)24-13-5-12-18-28(22,23)17-10-8-16(9-11-17)19(20)21/h2-4,6-11,18H,5,12-14H2,1H3