2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]nicotinonitrile Formula: C18H20N4O4S MolecularWeight: 388.4408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C18H20N4O4S/c1-25-15-5-6-16(26-2)17(12-15)27(23,24)22-10-8-21(9-11-22)18-14(13-19)4-3-7-20-18/h3-7,12H,8-11H2,1-2H3