4-[4-(2H-chromen-3-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2H-chromen-3-ylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2H-chromene-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2H-1-benzopyran-3-yl(oxo)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2H-chromene-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2H-chromene-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3OC2)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3OC2)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19N3O4S/c22-14-16-5-7-19(8-6-16)29(26,27)24-11-9-23(10-12-24)21(25)18-13-17-3-1-2-4-20(17)28-15-18/h1-8,13H,9-12,15H2