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

Systemtic Name: 4-[4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxo-butoxy]-3-methoxy-benzonitrile CAS Name: 4-[4-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-4-oxobutoxy]-3-methoxybenzonitrile IUPAC Name: 4-[4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile Traditional Name: 4-[4-[4-(2-cyanophenyl)sulfonylpiperazino]-4-keto-butoxy]-3-methoxy-benzonitrile Formula: C23H24N4O5S MolecularWeight: 468.52546

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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=C3C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O5S/c1-31-21-15-18(16-24)8-9-20(21)32-14-4-7-23(28)26-10-12-27(13-11-26)33(29,30)22-6-3-2-5-19(22)17-25/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3