2-[4-(1,2-dihydroacenaphthylen-5-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1,2-dihydroacenaphthylen-5-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1,2-dihydroacenaphthylene-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1,2-dihydroacenaphthylen-5-yl(oxo)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1,2-dihydroacenaphthylene-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(acenaphthene-5-carbonyl)piperazino]sulfonylbenzonitrile Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C24H21N3O3S/c25-16-19-4-1-2-7-22(19)31(29,30)27-14-12-26(13-15-27)24(28)21-11-10-18-9-8-17-5-3-6-20(21)23(17)18/h1-7,10-11H,8-9,12-15H2