[4-azido-5-[(4-methoxyphenyl)methoxy]-2-methyl-6-(phenylsulfinyl)oxan-3-yl] benzoate

Systemtic Name: [4-azido-5-[(4-methoxyphenyl)methoxy]-2-methyl-6-(phenylsulfinyl)oxan-3-yl] benzoate Openeye Name: [4-azido-6-(benzenesulfinyl)-5-[(4-methoxyphenyl)methoxy]-2-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [4-azido-6-(benzenesulfinyl)-5-[(4-methoxyphenyl)methoxy]-2-methyl-3-oxanyl] ester IUPAC Name: [4-azido-6-(benzenesulfinyl)-5-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl] benzoate Traditional Name: benzoic acid [4-azido-6-(benzenesulfinyl)-2-methyl-5-p-anisyloxy-tetrahydropyran-3-yl] ester Formula: C27H27N3O6S MolecularWeight: 521.58478

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)S(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)OC)N=[N+]=[N-])OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1C(C(C(C(O1)S(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)OC)N=[N+]=[N-])OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O6S/c1-18-24(36-26(31)20-9-5-3-6-10-20)23(29-30-28)25(34-17-19-13-15-21(33-2)16-14-19)27(35-18)37(32)22-11-7-4-8-12-22/h3-16,18,23-25,27H,17H2,1-2H3