2-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-keto-2-(4-p-phenetylsulfonylpiperazino)ethoxy]benzonitrile Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3O5S/c1-2-28-18-7-9-19(10-8-18)30(26,27)24-13-11-23(12-14-24)21(25)16-29-20-6-4-3-5-17(20)15-22/h3-10H,2,11-14,16H2,1H3