ethyl 4-methyl-5-(4-methylphenyl)sulfonyl-3-propan-2-yl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-methyl-5-(4-methylphenyl)sulfonyl-3-propan-2-yl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-isopropyl-4-methyl-5-(p-tolylsulfonyl)-1H-pyrrole-2-carboxylate CAS Name: 4-methyl-5-(4-methylphenyl)sulfonyl-3-propan-2-yl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(4-methylphenyl)sulfonyl-3-propan-2-yl-1H-pyrrole-2-carboxylate Traditional Name: 3-isopropyl-4-methyl-5-tosyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)S(=O)(=O)C2=CC=C(C=C2)C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)S(=O)(=O)C2=CC=C(C=C2)C)C)C(C)C

InChI

InChI=1S/C18H23NO4S/c1-6-23-18(20)16-15(11(2)3)13(5)17(19-16)24(21,22)14-9-7-12(4)8-10-14/h7-11,19H,6H2,1-5H3