3-(4-methoxyphenyl)-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridazine

Systemtic Name: 3-(4-methoxyphenyl)-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridazine Openeye Name: 3-(4-benzylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)pyridazine CAS Name: 3-(4-methoxyphenyl)-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]pyridazine IUPAC Name: 3-(4-benzylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)pyridazine Traditional Name: 3-(4-benzylsulfonylpiperazino)-6-(4-methoxyphenyl)pyridazine Formula: C22H24N4O3S MolecularWeight: 424.51596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S/c1-29-20-9-7-19(8-10-20)21-11-12-22(24-23-21)25-13-15-26(16-14-25)30(27,28)17-18-5-3-2-4-6-18/h2-12H,13-17H2,1H3