3-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-thiophen-2-yl-pyridazine

Systemtic Name: 3-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-thiophen-2-yl-pyridazine Openeye Name: 3-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-(2-thienyl)pyridazine CAS Name: 3-[4-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-piperazinyl]-6-thiophen-2-ylpyridazine IUPAC Name: 3-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine Traditional Name: 3-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazino]-6-(2-thienyl)pyridazine Formula: C21H24N4O3S2 MolecularWeight: 444.57026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4)OC

InChI

InChI=1S/C21H24N4O3S2/c1-15-13-18(28-3)20(14-16(15)2)30(26,27)25-10-8-24(9-11-25)21-7-6-17(22-23-21)19-5-4-12-29-19/h4-7,12-14H,8-11H2,1-3H3