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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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