3-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylbutan-2-one

Systemtic Name: 3-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylbutan-2-one Openeye Name: 3-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]butan-2-one CAS Name: 3-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]-2-butanone IUPAC Name: 3-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylbutan-2-one Traditional Name: 3-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]butan-2-one Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)SC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c1-16(24)17(2)27-20-9-8-19(14-21-20)28(25,26)23-12-10-22(11-13-23)15-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3