1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-morpholinosulfonyl-2-pyridyl)thio]ethanone Formula: C21H29N3O5S2 MolecularWeight: 467.60206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H29N3O5S2/c1-15-11-19(17(3)24(15)16(2)13-28-4)20(25)14-30-21-6-5-18(12-22-21)31(26,27)23-7-9-29-10-8-23/h5-6,11-12,16H,7-10,13-14H2,1-4H3