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

Systemtic Name: 3-chloranyl-4-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethoxy]-3-chloro-benzonitrile CAS Name: 3-chloro-4-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethoxy]-3-chlorobenzonitrile Traditional Name: 4-[2-(4-benzylsulfonylpiperazino)-2-keto-ethoxy]-3-chloro-benzonitrile Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)C#N)Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)C#N)Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O4S/c21-18-12-17(13-22)6-7-19(18)28-14-20(25)23-8-10-24(11-9-23)29(26,27)15-16-4-2-1-3-5-16/h1-7,12H,8-11,14-15H2