4-[1-oxidanylidene-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-oxidanylidene-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[2-(4-benzylsulfonylpiperazin-1-yl)-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[1-oxo-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-(4-benzylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[2-(4-benzylsulfonylpiperazino)-2-keto-1-methyl-ethoxy]benzonitrile Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O4S/c1-17(28-20-9-7-18(15-22)8-10-20)21(25)23-11-13-24(14-12-23)29(26,27)16-19-5-3-2-4-6-19/h2-10,17H,11-14,16H2,1H3