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

Systemtic Name: ethyl 4-[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2-ethoxy-3-pyridinyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-ethoxynicotinoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H25N3O6S/c1-3-29-19-18(6-5-11-22-19)20(25)23-12-14-24(15-13-23)31(27,28)17-9-7-16(8-10-17)21(26)30-4-2/h5-11H,3-4,12-15H2,1-2H3