tert-butyl 4-[4-[[6-(1,3-benzodioxol-5-ylsulfonyl)pyridazin-3-yl]methyl]piperazin-1-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[6-(1,3-benzodioxol-5-ylsulfonyl)pyridazin-3-yl]methyl]piperazin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[6-(1,3-benzodioxol-5-ylsulfonyl)pyridazin-3-yl]methyl]piperazin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[6-(1,3-benzodioxol-5-ylsulfonyl)-3-pyridazinyl]methyl]-1-piperazinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[6-(1,3-benzodioxol-5-ylsulfonyl)pyridazin-3-yl]methyl]piperazin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[[6-(1,3-benzodioxol-5-ylsulfonyl)pyridazin-3-yl]methyl]piperazino]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H35N5O6S MolecularWeight: 545.651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2CCN(CC2)CC3=NN=C(C=C3)S(=O)(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2CCN(CC2)CC3=NN=C(C=C3)S(=O)(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H35N5O6S/c1-26(2,3)37-25(32)31-10-8-20(9-11-31)30-14-12-29(13-15-30)17-19-4-7-24(28-27-19)38(33,34)21-5-6-22-23(16-21)36-18-35-22/h4-7,16,20H,8-15,17-18H2,1-3H3