2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-methoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-methoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-(4-m-anisoylpiperazino)sulfonylbenzonitrile Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H19N3O4S/c1-26-17-7-4-6-15(13-17)19(23)21-9-11-22(12-10-21)27(24,25)18-8-3-2-5-16(18)14-20/h2-8,13H,9-12H2,1H3