ethyl 4-[4-(pyridin-3-ylmethylcarbamoyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(pyridin-3-ylmethylcarbamoyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3-pyridylmethylcarbamoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo-(3-pyridinylmethylamino)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(pyridin-3-ylmethylcarbamoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-pyridylmethylcarbamoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H24N4O5S/c1-2-29-19(25)17-5-7-18(8-6-17)30(27,28)24-12-10-23(11-13-24)20(26)22-15-16-4-3-9-21-14-16/h3-9,14H,2,10-13,15H2,1H3,(H,22,26)