4-[4-(1,2,3,4-tetrahydroacridin-9-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(1,2,3,4-tetrahydroacridin-9-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(1,2,3,4-tetrahydroacridine-9-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo(1,2,3,4-tetrahydroacridin-9-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(1,2,3,4-tetrahydroacridine-9-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(1,2,3,4-tetrahydroacridine-9-carbonyl)piperazino]sulfonylbenzonitrile Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H24N4O3S/c26-17-18-9-11-19(12-10-18)33(31,32)29-15-13-28(14-16-29)25(30)24-20-5-1-3-7-22(20)27-23-8-4-2-6-21(23)24/h1,3,5,7,9-12H,2,4,6,8,13-16H2