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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)OC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)OC3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3O4S/c1-16-7-9-19(10-8-16)29(26,27)24-13-11-23(12-14-24)21(25)17(2)28-20-6-4-3-5-18(20)15-22/h3-10,17H,11-14H2,1-2H3