2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-[2-(phenylmethyl)phenyl]ethanamide

Systemtic Name: 2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-benzylphenyl)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]acetamide Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3S2/c1-28-13-15-29(16-14-28)34(31,32)22-11-12-25(26-18-22)33-19-24(30)27-23-10-6-5-9-21(23)17-20-7-3-2-4-8-20/h2-12,18H,13-17,19H2,1H3,(H,27,30)