3-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(4-propylphenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(4-propylphenyl)sulfonylpiperazino]methyl]benzonitrile Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H25N3O2S/c1-2-4-18-7-9-21(10-8-18)27(25,26)24-13-11-23(12-14-24)17-20-6-3-5-19(15-20)16-22/h3,5-10,15H,2,4,11-14,17H2,1H3