3-methoxy-4-[4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butoxy]benzenecarbonitrile Openeye Name: 4-[4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-butoxy]-3-methoxy-benzonitrile CAS Name: 4-[4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxobutoxy]-3-methoxybenzonitrile IUPAC Name: 4-[4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile Traditional Name: 4-[4-(4-besylpiperazino)-4-keto-butoxy]-3-methoxy-benzonitrile Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5S/c1-29-21-16-18(17-23)9-10-20(21)30-15-5-8-22(26)24-11-13-25(14-12-24)31(27,28)19-6-3-2-4-7-19/h2-4,6-7,9-10,16H,5,8,11-15H2,1H3