9H-fluoren-9-yl 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: 9H-fluoren-9-yl 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Openeye Name: 9H-fluoren-9-yl 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid 9H-fluoren-9-yl ester IUPAC Name: 9H-fluoren-9-yl 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]sulfonylbenzoic acid 9H-fluoren-9-yl ester Formula: C27H27NO4S MolecularWeight: 461.57258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3C4=CC=CC=C4C5=CC=CC=C35)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3C4=CC=CC=C4C5=CC=CC=C35)C

InChI

InChI=1S/C27H27NO4S/c1-18-15-19(2)17-28(16-18)33(30,31)21-13-11-20(12-14-21)27(29)32-26-24-9-5-3-7-22(24)23-8-4-6-10-25(23)26/h3-14,18-19,26H,15-17H2,1-2H3/t18-,19-/m0/s1