4-nitro-N-[4-phenyl-1-(phenylsulfinyl)but-3-en-2-yl]benzenesulfonamide

Systemtic Name: 4-nitro-N-[4-phenyl-1-(phenylsulfinyl)but-3-en-2-yl]benzenesulfonamide Openeye Name: N-[1-(benzenesulfinylmethyl)-3-phenyl-allyl]-4-nitro-benzenesulfonamide CAS Name: N-[1-(benzenesulfinyl)-4-phenylbut-3-en-2-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-(benzenesulfinyl)-4-phenylbut-3-en-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(benzenesulfinylmethyl)-3-phenyl-allyl]-4-nitro-benzenesulfonamide Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(CS(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C=CC(CS(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O5S2/c25-24(26)20-13-15-22(16-14-20)31(28,29)23-19(12-11-18-7-3-1-4-8-18)17-30(27)21-9-5-2-6-10-21/h1-16,19,23H,17H2