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

Systemtic Name: 3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(4-methoxyphenyl)piperazino]sulfonylbenzonitrile Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-24-17-7-5-16(6-8-17)20-9-11-21(12-10-20)25(22,23)18-4-2-3-15(13-18)14-19/h2-8,13H,9-12H2,1H3