1,3,4-thiadiazol-2-yl 4-(6-methoxyhexoxy)-2-phenyl-3-piperidin-1-yl-benzoate

Systemtic Name: 1,3,4-thiadiazol-2-yl 4-(6-methoxyhexoxy)-2-phenyl-3-piperidin-1-yl-benzoate Openeye Name: 1,3,4-thiadiazol-2-yl 4-(6-methoxyhexoxy)-2-phenyl-3-(1-piperidyl)benzoate CAS Name: 4-(6-methoxyhexoxy)-2-phenyl-3-(1-piperidinyl)benzoic acid 1,3,4-thiadiazol-2-yl ester IUPAC Name: 1,3,4-thiadiazol-2-yl 4-(6-methoxyhexoxy)-2-phenyl-3-piperidin-1-ylbenzoate Traditional Name: 4-(6-methoxyhexoxy)-2-phenyl-3-piperidino-benzoic acid 1,3,4-thiadiazol-2-yl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=NN=CS2)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

COCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=NN=CS2)C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C27H33N3O4S/c1-32-18-10-2-3-11-19-33-23-15-14-22(26(31)34-27-29-28-20-35-27)24(21-12-6-4-7-13-21)25(23)30-16-8-5-9-17-30/h4,6-7,12-15,20H,2-3,5,8-11,16-19H2,1H3