ethyl (4R)-4-methyl-2-[[(3S)-1-(4-methylphenyl)sulfonyloxyhexan-3-yl]amino]cyclohexene-1-carboxylate

Systemtic Name: ethyl (4R)-4-methyl-2-[[(3S)-1-(4-methylphenyl)sulfonyloxyhexan-3-yl]amino]cyclohexene-1-carboxylate Openeye Name: ethyl (4R)-4-methyl-2-[[(1S)-1-[2-(p-tolylsulfonyloxy)ethyl]butyl]amino]cyclohexene-1-carboxylate CAS Name: (4R)-4-methyl-2-[[(3S)-1-(4-methylphenyl)sulfonyloxyhexan-3-yl]amino]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-methyl-2-[[(3S)-1-(4-methylphenyl)sulfonyloxyhexan-3-yl]amino]cyclohexene-1-carboxylate Traditional Name: (4R)-4-methyl-2-[[(1S)-1-(2-tosyloxyethyl)butyl]amino]cyclohexene-1-carboxylic acid ethyl ester Formula: C23H35NO5S MolecularWeight: 437.5927

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCOS(=O)(=O)C1=CC=C(C=C1)C)NC2=C(CCC(C2)C)C(=O)OCC

Isomeric SMILES

CCC[C@@H](CCOS(=O)(=O)C1=CC=C(C=C1)C)NC2=C(CC[C@H](C2)C)C(=O)OCC

InChI

InChI=1S/C23H35NO5S/c1-5-7-19(14-15-29-30(26,27)20-11-8-17(3)9-12-20)24-22-16-18(4)10-13-21(22)23(25)28-6-2/h8-9,11-12,18-19,24H,5-7,10,13-16H2,1-4H3/t18-,19+/m1/s1