4-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-ethoxy-benzenecarbonitrile

Systemtic Name: 4-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-ethoxy-benzenecarbonitrile Openeye Name: 4-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxo-ethoxy]-3-ethoxy-benzonitrile CAS Name: 4-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-2-oxoethoxy]-3-ethoxybenzonitrile IUPAC Name: 4-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxoethoxy]-3-ethoxybenzonitrile Traditional Name: 3-ethoxy-4-[2-keto-2-(4-piazthiol-4-ylsulfonylpiperazino)ethoxy]benzonitrile Formula: C21H21N5O5S2 MolecularWeight: 487.55194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H21N5O5S2/c1-2-30-18-12-15(13-22)6-7-17(18)31-14-20(27)25-8-10-26(11-9-25)33(28,29)19-5-3-4-16-21(19)24-32-23-16/h3-7,12H,2,8-11,14H2,1H3