benzotriazol-1-yl 4-[5-[4-(4-cyclohexyloxypiperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: benzotriazol-1-yl 4-[5-[4-(4-cyclohexyloxypiperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-[4-[4-(cyclohexoxy)-1-piperidyl]phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[4-(4-cyclohexyloxy-1-piperidinyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-[4-(4-cyclohexyloxypiperidin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[4-[4-(cyclohexoxy)piperidino]phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C32H32N6O3S MolecularWeight: 580.69988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2CCN(CC2)C3=CC=C(C=C3)C4=NN=C(S4)C5=CC=C(C=C5)C(=O)ON6C7=CC=CC=C7N=N6

Isomeric SMILES

C1CCC(CC1)OC2CCN(CC2)C3=CC=C(C=C3)C4=NN=C(S4)C5=CC=C(C=C5)C(=O)ON6C7=CC=CC=C7N=N6

InChI

InChI=1S/C32H32N6O3S/c39-32(41-38-29-9-5-4-8-28(29)33-36-38)24-12-10-22(11-13-24)30-34-35-31(42-30)23-14-16-25(17-15-23)37-20-18-27(19-21-37)40-26-6-2-1-3-7-26/h4-5,8-17,26-27H,1-3,6-7,18-21H2