4-[4-[3-(4-methylphenyl)thiophen-2-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[3-(4-methylphenyl)thiophen-2-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-(p-tolyl)thiophene-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[3-(4-methylphenyl)-2-thiophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(4-methylphenyl)thiophene-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-(p-tolyl)thiophene-2-carbonyl]piperazino]sulfonylbenzonitrile Formula: C23H21N3O3S2 MolecularWeight: 451.56114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H21N3O3S2/c1-17-2-6-19(7-3-17)21-10-15-30-22(21)23(27)25-11-13-26(14-12-25)31(28,29)20-8-4-18(16-24)5-9-20/h2-10,15H,11-14H2,1H3