1-(2-tert-butylphenoxy)-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-2-ol

Systemtic Name: 1-(2-tert-butylphenoxy)-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-2-ol Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-(2-tert-butylphenoxy)propan-2-ol CAS Name: 1-(2-tert-butylphenoxy)-3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-3-(2-tert-butylphenoxy)propan-2-ol Traditional Name: 1-(4-benzylsulfonylpiperazino)-3-(2-tert-butylphenoxy)propan-2-ol Formula: C24H34N2O4S MolecularWeight: 446.60276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)O

InChI

InChI=1S/C24H34N2O4S/c1-24(2,3)22-11-7-8-12-23(22)30-18-21(27)17-25-13-15-26(16-14-25)31(28,29)19-20-9-5-4-6-10-20/h4-12,21,27H,13-19H2,1-3H3