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

Systemtic Name: 2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(2-phenylbutyl)ethanamide Openeye Name: 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-(2-phenylbutyl)acetamide CAS Name: 2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-N-(2-phenylbutyl)acetamide IUPAC Name: 2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(2-phenylbutyl)acetamide Traditional Name: 2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]-N-(2-phenylbutyl)acetamide Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H30N4O3S2/c1-3-18(19-7-5-4-6-8-19)15-23-21(27)17-30-22-10-9-20(16-24-22)31(28,29)26-13-11-25(2)12-14-26/h4-10,16,18H,3,11-15,17H2,1-2H3,(H,23,27)