2-[4-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)carbonylpiperazin-1-yl]-1,3-thiazole-5-carbonitrile

Systemtic Name: 2-[4-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)carbonylpiperazin-1-yl]-1,3-thiazole-5-carbonitrile Openeye Name: 2-[4-(2-isopropoxy-5-methylsulfonyl-benzoyl)piperazin-1-yl]thiazole-5-carbonitrile CAS Name: 2-[4-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)-oxomethyl]-1-piperazinyl]-5-thiazolecarbonitrile IUPAC Name: 2-[4-(5-methylsulfonyl-2-propan-2-yloxybenzoyl)piperazin-1-yl]-1,3-thiazole-5-carbonitrile Traditional Name: 2-[4-(2-isopropoxy-5-mesyl-benzoyl)piperazino]thiazole-5-carbonitrile Formula: C19H22N4O4S2 MolecularWeight: 434.53238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC=C(S3)C#N

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC=C(S3)C#N

InChI

InChI=1S/C19H22N4O4S2/c1-13(2)27-17-5-4-15(29(3,25)26)10-16(17)18(24)22-6-8-23(9-7-22)19-21-12-14(11-20)28-19/h4-5,10,12-13H,6-9H2,1-3H3