methyl 2,4-dimethyl-5-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O5S2/c1-13-18(20(25)28-3)14(2)22-19(13)16(24)12-29-17-8-7-15(11-21-17)30(26,27)23-9-5-4-6-10-23/h7-8,11,22H,4-6,9-10,12H2,1-3H3