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

Systemtic Name: 2-[4-[(2R)-2-phenylpentanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(2R)-2-phenylpentanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2R)-1-oxo-2-phenylpentyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2R)-2-phenylpentanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2R)-2-phenylpentanoyl]piperazino]sulfonylbenzonitrile Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H25N3O3S/c1-2-8-20(18-9-4-3-5-10-18)22(26)24-13-15-25(16-14-24)29(27,28)21-12-7-6-11-19(21)17-23/h3-7,9-12,20H,2,8,13-16H2,1H3/t20-/m1/s1