2-[[(1R,3aR,4R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]sulfonyl]-1,3-benzothiazole

Systemtic Name: 2-[[(1R,3aR,4R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]sulfonyl]-1,3-benzothiazole Openeye Name: 2-[[(1R,3aR,4R,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]sulfonyl]-1,3-benzothiazole CAS Name: 2-[[(1R,3aR,4R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]sulfonyl]-1,3-benzothiazole IUPAC Name: 2-[[(1R,3aR,4R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]sulfonyl]-1,3-benzothiazole Traditional Name: 2-[[(1R,3aR,4R,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]sulfonyl]-1,3-benzothiazole Formula: C26H37NO2S2 MolecularWeight: 459.70748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2S(=O)(=O)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC[C@H]2S(=O)(=O)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C26H37NO2S2/c1-17(2)18(3)12-13-19(4)20-14-15-21-24(11-8-16-26(20,21)5)31(28,29)25-27-22-9-6-7-10-23(22)30-25/h6-7,9-10,12-13,17-21,24H,8,11,14-16H2,1-5H3/b13-12+/t18-,19+,20+,21-,24+,26+/m0/s1