2-[1-(4-acetamidophenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[1-(4-acetamidophenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[1-(4-acetamidophenyl)sulfonyl-3-oxo-piperazin-2-yl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[1-(4-acetamidophenyl)sulfonyl-3-oxo-2-piperazinyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[1-(4-acetamidophenyl)sulfonyl-3-keto-piperazin-2-yl]-N-(3-pyridylmethyl)acetamide Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H23N5O5S/c1-14(26)24-16-4-6-17(7-5-16)31(29,30)25-10-9-22-20(28)18(25)11-19(27)23-13-15-3-2-8-21-12-15/h2-8,12,18H,9-11,13H2,1H3,(H,22,28)(H,23,27)(H,24,26)