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

Systemtic Name: 3-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-[2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-[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(=C3)C#N)C

Isomeric SMILES

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

InChI

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