2-methoxyethyl 2,4-dimethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: 2-methoxyethyl 2,4-dimethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: 2-methoxyethyl 2,4-dimethyl-5-[2-[4-(2-pyridyl)piperazin-1-yl]sulfonylethylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]ethylamino]methyl]-1H-pyrrole-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2,4-dimethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[4-(2-pyridyl)piperazino]sulfonylethylcarbamoyl]-1H-pyrrole-3-carboxylic acid 2-methoxyethyl ester Formula: C22H31N5O6S MolecularWeight: 493.57644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OCCOC)C)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OCCOC)C)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C22H31N5O6S/c1-16-19(22(29)33-14-13-32-3)17(2)25-20(16)21(28)24-8-15-34(30,31)27-11-9-26(10-12-27)18-6-4-5-7-23-18/h4-7,25H,8-15H2,1-3H3,(H,24,28)