3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-(4-p-cumenylsulfonylpiperazine-1-carbonyl)benzonitrile Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-16(2)18-6-8-20(9-7-18)28(26,27)24-12-10-23(11-13-24)21(25)19-5-3-4-17(14-19)15-22/h3-9,14,16H,10-13H2,1-2H3