2-[4-[(6-ethoxy-2H-chromen-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(6-ethoxy-2H-chromen-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(6-ethoxy-2H-chromene-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(6-ethoxy-2H-1-benzopyran-3-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(6-ethoxy-2H-chromene-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(6-ethoxy-2H-chromene-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OCC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)OCC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H23N3O5S/c1-2-30-20-7-8-21-18(14-20)13-19(16-31-21)23(27)25-9-11-26(12-10-25)32(28,29)22-6-4-3-5-17(22)15-24/h3-8,13-14H,2,9-12,16H2,1H3