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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

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