3-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thiazol-4-yl]methyl]benzonitrile CAS Name: 3-[[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-4-thiazolyl]methyl]benzonitrile IUPAC Name: 3-[[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-yl]methyl]benzonitrile Traditional Name: 3-[[2-[4-(4-methoxyphenyl)sulfonylpiperazino]thiazol-4-yl]methyl]benzonitrile Formula: C22H22N4O3S2 MolecularWeight: 454.56508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CS3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CS3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H22N4O3S2/c1-29-20-5-7-21(8-6-20)31(27,28)26-11-9-25(10-12-26)22-24-19(16-30-22)14-17-3-2-4-18(13-17)15-23/h2-8,13,16H,9-12,14H2,1H3