[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-propan-2-ylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-propan-2-ylsulfanylpyridin-3-yl)methanone Openeye Name: (2-isopropylsulfanyl-3-pyridyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-[2-(propan-2-ylthio)-3-pyridinyl]methanone IUPAC Name: [4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2-propan-2-ylsulfanylpyridin-3-yl)methanone Traditional Name: [2-(isopropylthio)-3-pyridyl]-[4-(4-methoxyphenyl)sulfonylpiperazino]methanone Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N3O4S2/c1-15(2)28-19-18(5-4-10-21-19)20(24)22-11-13-23(14-12-22)29(25,26)17-8-6-16(27-3)7-9-17/h4-10,15H,11-14H2,1-3H3