3-[(1R,2R,3R,6R)-3-ethenyl-2-isothiocyanato-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1-(4-methylphenyl)sulfonyl-indole

Systemtic Name: 3-[(1R,2R,3R,6R)-3-ethenyl-2-isothiocyanato-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1-(4-methylphenyl)sulfonyl-indole Openeye Name: 3-[(1R,2R,3R,6R)-6-isopropenyl-2-isothiocyanato-3-methyl-3-vinyl-cyclohexyl]-1-(p-tolylsulfonyl)indole CAS Name: 3-[(1R,2R,3R,6R)-3-ethenyl-2-isothiocyanato-3-methyl-6-(1-methylethenyl)cyclohexyl]-1-(4-methylphenyl)sulfonylindole IUPAC Name: 3-[(1R,2R,3R,6R)-3-ethenyl-2-isothiocyanato-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1-(4-methylphenyl)sulfonylindole Traditional Name: 3-[(1R,2R,3R,6R)-6-isopropenyl-2-isothiocyanato-3-methyl-3-vinyl-cyclohexyl]-1-tosyl-indole Formula: C28H30N2O2S2 MolecularWeight: 490.68

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4C(CCC(C4N=C=S)(C)C=C)C(=C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)[C@H]4[C@@H](CC[C@]([C@@H]4N=C=S)(C)C=C)C(=C)C

InChI

InChI=1S/C28H30N2O2S2/c1-6-28(5)16-15-22(19(2)3)26(27(28)29-18-33)24-17-30(25-10-8-7-9-23(24)25)34(31,32)21-13-11-20(4)12-14-21/h6-14,17,22,26-27H,1-2,15-16H2,3-5H3/t22-,26+,27+,28-/m0/s1