4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-keto-ethoxy]benzonitrile Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

InChI

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