2-[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2-ethoxy-3-pyridinyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-ethoxynicotinoyl)piperazino]sulfonylbenzonitrile Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H20N4O4S/c1-2-27-18-16(7-5-9-21-18)19(24)22-10-12-23(13-11-22)28(25,26)17-8-4-3-6-15(17)14-20/h3-9H,2,10-13H2,1H3