4-methyl-2-[4-(1-phenylethyl)piperazin-1-yl]sulfonyl-benzenecarbonitrile

Systemtic Name: 4-methyl-2-[4-(1-phenylethyl)piperazin-1-yl]sulfonyl-benzenecarbonitrile Openeye Name: 4-methyl-2-[4-(1-phenylethyl)piperazin-1-yl]sulfonyl-benzonitrile CAS Name: 4-methyl-2-[[4-(1-phenylethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-methyl-2-[4-(1-phenylethyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-methyl-2-[4-(1-phenylethyl)piperazino]sulfonyl-benzonitrile Formula: C20H23N3O2S MolecularWeight: 369.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C#N)S(=O)(=O)N2CCN(CC2)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C#N)S(=O)(=O)N2CCN(CC2)C(C)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S/c1-16-8-9-19(15-21)20(14-16)26(24,25)23-12-10-22(11-13-23)17(2)18-6-4-3-5-7-18/h3-9,14,17H,10-13H2,1-2H3