methyl (1R,4S,5R)-5-methyl-3-methylidene-4-[3-methyl-1-(4-methylphenyl)sulfonyl-but-3-enyl]cycloheptane-1-carboxylate

Systemtic Name: methyl (1R,4S,5R)-5-methyl-3-methylidene-4-[3-methyl-1-(4-methylphenyl)sulfonyl-but-3-enyl]cycloheptane-1-carboxylate Openeye Name: methyl (1R,4S,5R)-5-methyl-3-methylene-4-[3-methyl-1-(p-tolylsulfonyl)but-3-enyl]cycloheptanecarboxylate CAS Name: (1R,4S,5R)-5-methyl-3-methylene-4-[3-methyl-1-(4-methylphenyl)sulfonylbut-3-enyl]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl (1R,4S,5R)-5-methyl-3-methylidene-4-[3-methyl-1-(4-methylphenyl)sulfonylbut-3-enyl]cycloheptane-1-carboxylate Traditional Name: (1R,4S,5R)-5-methyl-3-methylene-4-(3-methyl-1-tosyl-but-3-enyl)cycloheptanecarboxylic acid methyl ester Formula: C23H32O4S MolecularWeight: 404.56278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC(=C)C1C(CC(=C)C)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC

Isomeric SMILES

C[C@@H]1CC[C@H](CC(=C)[C@H]1C(CC(=C)C)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC

InChI

InChI=1S/C23H32O4S/c1-15(2)13-21(28(25,26)20-11-7-16(3)8-12-20)22-17(4)9-10-19(14-18(22)5)23(24)27-6/h7-8,11-12,17,19,21-22H,1,5,9-10,13-14H2,2-4,6H3/t17-,19-,21?,22+/m1/s1