(2R)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol

Systemtic Name: (2R)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol Openeye Name: (2R)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-2-ol CAS Name: (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propanol IUPAC Name: (2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol Traditional Name: (2R)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-[4-(2-thienylsulfonyl)piperazino]propan-2-ol Formula: C22H32N2O5S2 MolecularWeight: 468.62988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OC[C@@H](CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)O

InChI

InChI=1S/C22H32N2O5S2/c1-22(2,3)19-14-18(28-4)7-8-20(19)29-16-17(25)15-23-9-11-24(12-10-23)31(26,27)21-6-5-13-30-21/h5-8,13-14,17,25H,9-12,15-16H2,1-4H3/t17-/m1/s1