3-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(3,4-diethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(3,4-diethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(3,4-diethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-3-29-20-9-8-19(15-21(20)30-4-2)31(27,28)25-12-10-24(11-13-25)22(26)18-7-5-6-17(14-18)16-23/h5-9,14-15H,3-4,10-13H2,1-2H3