(2S)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-phenoxy-propan-2-ol Openeye Name: (2S)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-phenoxy-propan-2-ol CAS Name: (2S)-1-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-3-phenoxy-2-propanol IUPAC Name: (2S)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol Traditional Name: (2S)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]-3-phenoxy-propan-2-ol Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C[C@@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C21H28N2O6S/c1-27-19-8-9-20(28-2)21(14-19)30(25,26)23-12-10-22(11-13-23)15-17(24)16-29-18-6-4-3-5-7-18/h3-9,14,17,24H,10-13,15-16H2,1-2H3/t17-/m0/s1