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

Systemtic Name: N-[4-[(2S)-2-oxidanyl-3-[4-(phenylsulfonyl)piperazin-1-yl]propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2S)-3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]acetamide CAS Name: N-[4-[(2S)-3-[4-(benzenesulfonyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]acetamide IUPAC Name: N-[4-[(2S)-3-[4-(benzenesulfonyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide Traditional Name: N-[4-[(2S)-3-(4-besylpiperazino)-2-hydroxy-propoxy]phenyl]acetamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@H](CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H27N3O5S/c1-17(25)22-18-7-9-20(10-8-18)29-16-19(26)15-23-11-13-24(14-12-23)30(27,28)21-5-3-2-4-6-21/h2-10,19,26H,11-16H2,1H3,(H,22,25)/t19-/m0/s1