3-[4-(4-methoxyphenyl)carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-methoxyphenyl)carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[4-(4-methoxybenzoyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[4-[(4-methoxyphenyl)-oxomethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-(4-p-anisoylpiperidino)sulfonylbenzonitrile Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20N2O4S/c1-26-18-7-5-16(6-8-18)20(23)17-9-11-22(12-10-17)27(24,25)19-4-2-3-15(13-19)14-21/h2-8,13,17H,9-12H2,1H3