[4-[(2S)-2-oxidanyl-3-[4-(phenylsulfonyl)piperazin-1-yl]propoxy]phenyl]-phenyl-methanone

Systemtic Name: [4-[(2S)-2-oxidanyl-3-[4-(phenylsulfonyl)piperazin-1-yl]propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[(2S)-3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]-phenyl-methanone CAS Name: [4-[(2S)-3-[4-(benzenesulfonyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-phenylmethanone IUPAC Name: [4-[(2S)-3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone Traditional Name: [4-[(2S)-3-(4-besylpiperazino)-2-hydroxy-propoxy]phenyl]-phenyl-methanone Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C[C@@H](COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O5S/c29-23(19-27-15-17-28(18-16-27)34(31,32)25-9-5-2-6-10-25)20-33-24-13-11-22(12-14-24)26(30)21-7-3-1-4-8-21/h1-14,23,29H,15-20H2/t23-/m0/s1