2-[4-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(7-ethyl-2-oxo-chromen-4-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(7-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(7-ethyl-2-keto-chromen-4-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H23N3O4S/c1-2-17-7-8-20-19(14-23(27)30-21(20)13-17)16-25-9-11-26(12-10-25)31(28,29)22-6-4-3-5-18(22)15-24/h3-8,13-14H,2,9-12,16H2,1H3