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

Systemtic Name: 3-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(4-isopropylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-(4-cumoylpiperazino)sulfonylbenzonitrile Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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