2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3R)-1-oxo-3-phenylbutyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(3R)-3-phenylbutanoyl]piperazino]sulfonylbenzonitrile Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-17(18-7-3-2-4-8-18)15-21(25)23-11-13-24(14-12-23)28(26,27)20-10-6-5-9-19(20)16-22/h2-10,17H,11-15H2,1H3/t17-/m1/s1