N-(3-methylphenyl)-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: 2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-N-(m-tolyl)acetamide Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

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