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

Systemtic Name: 2-[4-(2-butan-2-yloxy-5-methylsulfonyl-phenyl)carbonylpiperazin-1-yl]-1,3-thiazole-5-carbonitrile Openeye Name: 2-[4-(5-methylsulfonyl-2-sec-butoxy-benzoyl)piperazin-1-yl]thiazole-5-carbonitrile CAS Name: 2-[4-[(2-butan-2-yloxy-5-methylsulfonylphenyl)-oxomethyl]-1-piperazinyl]-5-thiazolecarbonitrile IUPAC Name: 2-[4-(2-butan-2-yloxy-5-methylsulfonylbenzoyl)piperazin-1-yl]-1,3-thiazole-5-carbonitrile Traditional Name: 2-[4-(5-mesyl-2-sec-butoxy-benzoyl)piperazino]thiazole-5-carbonitrile Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S2/c1-4-14(2)28-18-6-5-16(30(3,26)27)11-17(18)19(25)23-7-9-24(10-8-23)20-22-13-15(12-21)29-20/h5-6,11,13-14H,4,7-10H2,1-3H3