4-[4-[(2S)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]oxyphenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[(2S)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]oxyphenyl]benzenecarbonitrile Openeye Name: 4-[4-[(1S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethoxy]phenyl]benzonitrile CAS Name: 4-[4-[(2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]oxyphenyl]benzonitrile IUPAC Name: 4-[4-[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]oxyphenyl]benzonitrile Traditional Name: 4-[4-[(1S)-2-(4-besylpiperazino)-2-keto-1-methyl-ethoxy]phenyl]benzonitrile Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H25N3O4S/c1-20(33-24-13-11-23(12-14-24)22-9-7-21(19-27)8-10-22)26(30)28-15-17-29(18-16-28)34(31,32)25-5-3-2-4-6-25/h2-14,20H,15-18H2,1H3/t20-/m0/s1