2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethoxy]benzonitrile Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C#N)C

InChI

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