4-[2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanoylamino]benzamide CAS Name: 4-[[1-oxo-2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]propyl]amino]benzamide IUPAC Name: 4-[2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]propanoylamino]benzamide Formula: C26H29N5O4S2 MolecularWeight: 539.66956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O4S2/c1-19(26(33)29-22-9-7-21(8-10-22)25(27)32)36-24-12-11-23(17-28-24)37(34,35)31-15-13-30(14-16-31)18-20-5-3-2-4-6-20/h2-12,17,19H,13-16,18H2,1H3,(H2,27,32)(H,29,33)