1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H31N3O4S2/c1-17-14-20(18(2)25(17)12-7-13-29-3)21(26)16-30-22-9-8-19(15-23-22)31(27,28)24-10-5-4-6-11-24/h8-9,14-15H,4-7,10-13,16H2,1-3H3