2-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3,5-dimethylbenzoyl)piperazino]sulfonylbenzonitrile Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C20H21N3O3S/c1-15-11-16(2)13-18(12-15)20(24)22-7-9-23(10-8-22)27(25,26)19-6-4-3-5-17(19)14-21/h3-6,11-13H,7-10H2,1-2H3