4-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethoxy]-3-methoxy-benzonitrile CAS Name: 4-[2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]-3-methoxybenzonitrile IUPAC Name: 4-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]-3-methoxybenzonitrile Traditional Name: 4-[2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethoxy]-3-methoxy-benzonitrile Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H20N4O5S/c1-29-19-12-16(13-22)6-7-18(19)30-15-21(26)24-8-10-25(11-9-24)31(27,28)20-5-3-2-4-17(20)14-23/h2-7,12H,8-11,15H2,1H3