2-tert-butyl-4-[[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-tert-butyl-4-[[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole Openeye Name: 2-tert-butyl-4-[[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]methyl]thiazole CAS Name: 2-tert-butyl-4-[[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazinyl]methyl]thiazole IUPAC Name: 2-tert-butyl-4-[[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole Traditional Name: 2-tert-butyl-4-[[4-(3,4-diethoxyphenyl)sulfonylpiperazino]methyl]thiazole Formula: C22H33N3O4S2 MolecularWeight: 467.64512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC(=N3)C(C)(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC(=N3)C(C)(C)C)OCC

InChI

InChI=1S/C22H33N3O4S2/c1-6-28-19-9-8-18(14-20(19)29-7-2)31(26,27)25-12-10-24(11-13-25)15-17-16-30-21(23-17)22(3,4)5/h8-9,14,16H,6-7,10-13,15H2,1-5H3