2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile

Systemtic Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]carbonylphenyl]sulfanylbenzenecarbonitrile Openeye Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]phenyl]sulfanylbenzonitrile CAS Name: 2-[[2-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]-oxomethyl]phenyl]thio]benzonitrile IUPAC Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]phenyl]sulfanylbenzonitrile Traditional Name: 2-[[2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidine-1-carbonyl]phenyl]thio]benzonitrile Formula: C28H24N2O4S MolecularWeight: 484.56616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

InChI

InChI=1S/C28H24N2O4S/c29-18-21-5-1-3-7-25(21)35-26-8-4-2-6-22(26)28(32)30-13-11-19(12-14-30)27(31)20-9-10-23-24(17-20)34-16-15-33-23/h1-10,17,19H,11-16H2