(4-tert-butyl-2-methyl-phenyl) 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxylic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H28N2O5S/c1-15-12-16(21(2,3)4)6-7-19(15)28-20(24)18-13-17(14-22(18)5)29(25,26)23-8-10-27-11-9-23/h6-7,12-14H,8-11H2,1-5H3