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

Systemtic Name: 3-(4-chlorophenyl)-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridazine Openeye Name: 3-(4-benzylsulfonylpiperazin-1-yl)-6-(4-chlorophenyl)pyridazine CAS Name: 3-(4-chlorophenyl)-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]pyridazine IUPAC Name: 3-(4-benzylsulfonylpiperazin-1-yl)-6-(4-chlorophenyl)pyridazine Traditional Name: 3-(4-benzylsulfonylpiperazino)-6-(4-chlorophenyl)pyridazine Formula: C21H21ClN4O2S MolecularWeight: 428.93504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4O2S/c22-19-8-6-18(7-9-19)20-10-11-21(24-23-20)25-12-14-26(15-13-25)29(27,28)16-17-4-2-1-3-5-17/h1-11H,12-16H2