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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(5-piperidinosulfonyl-2-pyridyl)thio]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O5S2/c1-13-18(21(26)29-4)14(2)23-19(13)20(25)15(3)30-17-9-8-16(12-22-17)31(27,28)24-10-6-5-7-11-24/h8-9,12,15,23H,5-7,10-11H2,1-4H3