[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Systemtic Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: [4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: [4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-(2-thioxo-1H-pyridin-3-yl)methanone Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=S)OC

InChI

InChI=1S/C18H21N3O5S2/c1-25-15-6-5-13(12-16(15)26-2)28(23,24)21-10-8-20(9-11-21)18(22)14-4-3-7-19-17(14)27/h3-7,12H,8-11H2,1-2H3,(H,19,27)