[(1R,4R)-4-[(2-iodanylphenyl)-(4-methylphenyl)sulfonyl-amino]cyclohex-2-en-1-yl] ethanoate

Systemtic Name: [(1R,4R)-4-[(2-iodanylphenyl)-(4-methylphenyl)sulfonyl-amino]cyclohex-2-en-1-yl] ethanoate Openeye Name: [(1R,4R)-4-[2-iodo-N-(p-tolylsulfonyl)anilino]cyclohex-2-en-1-yl] acetate CAS Name: acetic acid [(1R,4R)-4-(2-iodo-N-(4-methylphenyl)sulfonylanilino)-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,4R)-4-(2-iodo-N-(4-methylphenyl)sulfonylanilino)cyclohex-2-en-1-yl] acetate Traditional Name: acetic acid [(1R,4R)-4-(2-iodo-N-tosyl-anilino)cyclohex-2-en-1-yl] ester Formula: C21H22INO4S MolecularWeight: 511.37315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2CCC(C=C2)OC(=O)C)C3=CC=CC=C3I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N([C@@H]2CC[C@H](C=C2)OC(=O)C)C3=CC=CC=C3I

InChI

InChI=1S/C21H22INO4S/c1-15-7-13-19(14-8-15)28(25,26)23(21-6-4-3-5-20(21)22)17-9-11-18(12-10-17)27-16(2)24/h3-9,11,13-14,17-18H,10,12H2,1-2H3/t17-,18-/m0/s1