3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-(4-mesitylsulfonylpiperazine-1-carbonyl)benzonitrile Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-15-11-16(2)20(17(3)12-15)28(26,27)24-9-7-23(8-10-24)21(25)19-6-4-5-18(13-19)14-22/h4-6,11-13H,7-10H2,1-3H3