[(2S)-3-(4-methylphenyl)sulfonyloxy-2-(oxan-2-yloxy)propyl] 12-(2-naphthalen-2-ylethanoylamino)dodecanoate

Systemtic Name: [(2S)-3-(4-methylphenyl)sulfonyloxy-2-(oxan-2-yloxy)propyl] 12-(2-naphthalen-2-ylethanoylamino)dodecanoate Openeye Name: [(2S)-3-(p-tolylsulfonyloxy)-2-tetrahydropyran-2-yloxy-propyl] 12-[[2-(2-naphthyl)acetyl]amino]dodecanoate CAS Name: 12-[[2-(2-naphthalenyl)-1-oxoethyl]amino]dodecanoic acid [(2S)-3-(4-methylphenyl)sulfonyloxy-2-(2-oxanyloxy)propyl] ester IUPAC Name: [(2S)-3-(4-methylphenyl)sulfonyloxy-2-(oxan-2-yloxy)propyl] 12-[(2-naphthalen-2-ylacetyl)amino]dodecanoate Traditional Name: 12-[[2-(2-naphthyl)acetyl]amino]lauric acid [(2S)-2-tetrahydropyran-2-yloxy-3-tosyloxy-propyl] ester Formula: C39H53NO8S MolecularWeight: 695.90502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC(=O)CCCCCCCCCCCNC(=O)CC2=CC3=CC=CC=C3C=C2)OC4CCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](COC(=O)CCCCCCCCCCCNC(=O)CC2=CC3=CC=CC=C3C=C2)OC4CCCCO4

InChI

InChI=1S/C39H53NO8S/c1-31-19-23-36(24-20-31)49(43,44)47-30-35(48-39-18-12-14-26-45-39)29-46-38(42)17-9-7-5-3-2-4-6-8-13-25-40-37(41)28-32-21-22-33-15-10-11-16-34(33)27-32/h10-11,15-16,19-24,27,35,39H,2-9,12-14,17-18,25-26,28-30H2,1H3,(H,40,41)/t35-,39?/m0/s1