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

Systemtic Name: 4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 4-(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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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