3-chloranyl-4-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]-3-chloro-benzonitrile CAS Name: 4-[2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]-3-chlorobenzonitrile IUPAC Name: 4-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]-3-chlorobenzonitrile Traditional Name: 4-[2-[4-(4-acetylphenyl)sulfonylpiperazino]-2-keto-ethoxy]-3-chloro-benzonitrile Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O5S/c1-15(26)17-3-5-18(6-4-17)31(28,29)25-10-8-24(9-11-25)21(27)14-30-20-7-2-16(13-23)12-19(20)22/h2-7,12H,8-11,14H2,1H3