1-[6-(2-methylprop-2-enylsulfanyl)pyridin-3-yl]sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-[6-(2-methylprop-2-enylsulfanyl)pyridin-3-yl]sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[[6-(2-methylallylsulfanyl)-3-pyridyl]sulfonyl]piperazine CAS Name: 1-[[6-(2-methylprop-2-enylthio)-3-pyridinyl]sulfonyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[6-(2-methylprop-2-enylsulfanyl)pyridin-3-yl]sulfonylpiperazine Traditional Name: 1-benzyl-4-[[6-(2-methylallylthio)-3-pyridyl]sulfonyl]piperazine Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=C)CSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S2/c1-17(2)16-26-20-9-8-19(14-21-20)27(24,25)23-12-10-22(11-13-23)15-18-6-4-3-5-7-18/h3-9,14H,1,10-13,15-16H2,2H3