4-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[3-oxo-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propyl]benzonitrile CAS Name: 4-[3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzonitrile Traditional Name: 4-[3-keto-3-(4-tosylpiperazino)propyl]benzonitrile Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C#N

InChI

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