1-(4-tert-butylphenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol

Systemtic Name: 1-(4-tert-butylphenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol Openeye Name: 1-(4-tert-butylphenoxy)-3-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-2-ol CAS Name: 1-(4-tert-butylphenoxy)-3-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propanol IUPAC Name: 1-(4-tert-butylphenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol Traditional Name: 1-(4-tert-butylphenoxy)-3-[4-(2-thienylsulfonyl)piperazino]propan-2-ol Formula: C21H30N2O4S2 MolecularWeight: 438.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)O

InChI

InChI=1S/C21H30N2O4S2/c1-21(2,3)17-6-8-19(9-7-17)27-16-18(24)15-22-10-12-23(13-11-22)29(25,26)20-5-4-14-28-20/h4-9,14,18,24H,10-13,15-16H2,1-3H3