(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxylic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C20H25ClN2O5S MolecularWeight: 440.9409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H25ClN2O5S/c1-13(2)16-11-17(21)14(3)9-19(16)28-20(24)18-10-15(12-22(18)4)29(25,26)23-5-7-27-8-6-23/h9-13H,5-8H2,1-4H3