1-[4-methoxy-3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]phenyl]ethanone Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H22N2O4S2/c1-14(22)15-5-7-18(25-2)16(11-15)13-26-19-8-6-17(12-20-19)27(23,24)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10,13H2,1-2H3