(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol Openeye Name: (2S)-1-(3-phenoxyphenoxy)-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-(3-phenoxyphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol Traditional Name: (2S)-1-(3-phenoxyphenoxy)-3-(4-tosylpiperazino)propan-2-ol Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=CC(=C3)OC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C[C@@H](COC3=CC=CC(=C3)OC4=CC=CC=C4)O

InChI

InChI=1S/C26H30N2O5S/c1-21-10-12-26(13-11-21)34(30,31)28-16-14-27(15-17-28)19-22(29)20-32-24-8-5-9-25(18-24)33-23-6-3-2-4-7-23/h2-13,18,22,29H,14-17,19-20H2,1H3/t22-/m0/s1