N-(furan-2-ylmethyl)-4-nitro-N-[(1S)-3-oxidanylidene-2-propyl-1H-isoindol-1-yl]benzenesulfonamide

Systemtic Name: N-(furan-2-ylmethyl)-4-nitro-N-[(1S)-3-oxidanylidene-2-propyl-1H-isoindol-1-yl]benzenesulfonamide Openeye Name: N-(2-furylmethyl)-4-nitro-N-[(1S)-3-oxo-2-propyl-isoindolin-1-yl]benzenesulfonamide CAS Name: N-(2-furanylmethyl)-4-nitro-N-[(1S)-3-oxo-2-propyl-1H-isoindol-1-yl]benzenesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-4-nitro-N-[(1S)-3-oxo-2-propyl-1H-isoindol-1-yl]benzenesulfonamide Traditional Name: N-(2-furfuryl)-N-[(1S)-3-keto-2-propyl-isoindolin-1-yl]-4-nitro-benzenesulfonamide Formula: C22H21N3O6S MolecularWeight: 455.48364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C2=CC=CC=C2C1=O)N(CC3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1[C@H](C2=CC=CC=C2C1=O)N(CC3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6S/c1-2-13-23-21(19-7-3-4-8-20(19)22(23)26)24(15-17-6-5-14-31-17)32(29,30)18-11-9-16(10-12-18)25(27)28/h3-12,14,21H,2,13,15H2,1H3/t21-/m0/s1