methyl 4-hexyl-2-methoxy-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2-propan-2-yl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-hexyl-2-methoxy-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2-propan-2-yl-pyrrole-3-carboxylate Openeye Name: methyl 4-hexyl-2-isopropyl-2-methoxy-5-oxo-1-(p-tolylsulfonyl)pyrrole-3-carboxylate CAS Name: 4-hexyl-2-methoxy-1-(4-methylphenyl)sulfonyl-5-oxo-2-propan-2-yl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-hexyl-2-methoxy-1-(4-methylphenyl)sulfonyl-5-oxo-2-propan-2-ylpyrrole-3-carboxylate Traditional Name: 4-hexyl-2-isopropyl-5-keto-2-methoxy-1-tosyl-3-pyrroline-3-carboxylic acid methyl ester Formula: C23H33NO6S MolecularWeight: 451.57622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(N(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)(C(C)C)OC)C(=O)OC

Isomeric SMILES

CCCCCCC1=C(C(N(C1=O)S(=O)(=O)C2=CC=C(C=C2)C)(C(C)C)OC)C(=O)OC

InChI

InChI=1S/C23H33NO6S/c1-7-8-9-10-11-19-20(22(26)29-5)23(30-6,16(2)3)24(21(19)25)31(27,28)18-14-12-17(4)13-15-18/h12-16H,7-11H2,1-6H3