methyl 3-[(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-methyl-4-(1-piperidylsulfonyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[1-methyl-4-(1-piperidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(1-methyl-4-piperidinosulfonyl-pyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=C(SC=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=C(SC=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H21N3O5S2/c1-19-11-12(27(23,24)20-7-4-3-5-8-20)10-14(19)16(21)18-13-6-9-26-15(13)17(22)25-2/h6,9-11H,3-5,7-8H2,1-2H3,(H,18,21)