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

Systemtic Name: 3-methoxy-4-[4-oxidanylidene-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butoxy]benzenecarbonitrile Openeye Name: 4-[4-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-4-oxo-butoxy]-3-methoxy-benzonitrile CAS Name: 3-methoxy-4-[4-oxo-4-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]butoxy]benzonitrile IUPAC Name: 3-methoxy-4-[4-oxo-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butoxy]benzonitrile Traditional Name: 4-[4-keto-4-(4-p-cumenylsulfonylpiperazino)butoxy]-3-methoxy-benzonitrile Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=C(C=C(C=C3)C#N)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=C(C=C(C=C3)C#N)OC

InChI

InChI=1S/C25H31N3O5S/c1-19(2)21-7-9-22(10-8-21)34(30,31)28-14-12-27(13-15-28)25(29)5-4-16-33-23-11-6-20(18-26)17-24(23)32-3/h6-11,17,19H,4-5,12-16H2,1-3H3