propan-2-yl 2,4-dimethyl-5-(4-pyridin-3-ylsulfonylpiperazin-1-yl)carbonyl-1H-pyrrole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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