methyl 2,4-dimethyl-5-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[4-(3-pyridylsulfonyl)piperazin-1-yl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[4-(3-pyridylsulfonyl)piperazino]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H26N4O5S/c1-13-17(20(26)29-4)14(2)22-18(13)19(25)15(3)23-8-10-24(11-9-23)30(27,28)16-6-5-7-21-12-16/h5-7,12,15,22H,8-11H2,1-4H3