1-(phenylmethyl)-4-[6-(2-propan-2-yloxyethylsulfanyl)pyridin-3-yl]sulfonyl-piperazine

Systemtic Name: 1-(phenylmethyl)-4-[6-(2-propan-2-yloxyethylsulfanyl)pyridin-3-yl]sulfonyl-piperazine Openeye Name: 1-benzyl-4-[[6-(2-isopropoxyethylsulfanyl)-3-pyridyl]sulfonyl]piperazine CAS Name: 1-(phenylmethyl)-4-[[6-(2-propan-2-yloxyethylthio)-3-pyridinyl]sulfonyl]piperazine IUPAC Name: 1-benzyl-4-[6-(2-propan-2-yloxyethylsulfanyl)pyridin-3-yl]sulfonylpiperazine Traditional Name: 1-benzyl-4-[[6-(2-isopropoxyethylthio)-3-pyridyl]sulfonyl]piperazine Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)OCCSC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O3S2/c1-18(2)27-14-15-28-21-9-8-20(16-22-21)29(25,26)24-12-10-23(11-13-24)17-19-6-4-3-5-7-19/h3-9,16,18H,10-15,17H2,1-2H3