N-[(E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-12-phenylmethoxy-dodec-3-en-2-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-12-phenylmethoxy-dodec-3-en-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(E,1R)-11-benzyloxy-1-[[(R)-p-tolylsulfinyl]methyl]undec-2-enyl]-2-nitro-benzenesulfonamide CAS Name: N-[(E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-12-phenylmethoxydodec-3-en-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(E,2R)-1-[(R)-(4-methylphenyl)sulfinyl]-12-phenylmethoxydodec-3-en-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(E,1R)-11-benzoxy-1-[[(R)-p-tolylsulfinyl]methyl]undec-2-enyl]-2-nitro-benzenesulfonamide Formula: C32H40N2O6S2 MolecularWeight: 612.7998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CC(C=CCCCCCCCCOCC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)C[C@@H](/C=C/CCCCCCCCOCC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C32H40N2O6S2/c1-27-20-22-30(23-21-27)41(37)26-29(33-42(38,39)32-19-13-12-18-31(32)34(35)36)17-11-6-4-2-3-5-7-14-24-40-25-28-15-9-8-10-16-28/h8-13,15-23,29,33H,2-7,14,24-26H2,1H3/b17-11+/t29-,41-/m1/s1