methyl 4-(4-cyanophenyl)-2,5-dimethyl-1-propan-2-ylsulfonyl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-(4-cyanophenyl)-2,5-dimethyl-1-propan-2-ylsulfonyl-pyrrole-3-carboxylate Openeye Name: methyl 4-(4-cyanophenyl)-1-isopropylsulfonyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-(4-cyanophenyl)-2,5-dimethyl-1-propan-2-ylsulfonyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyanophenyl)-2,5-dimethyl-1-propan-2-ylsulfonylpyrrole-3-carboxylate Traditional Name: 4-(4-cyanophenyl)-1-isopropylsulfonyl-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1S(=O)(=O)C(C)C)C)C(=O)OC)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(C(=C(N1S(=O)(=O)C(C)C)C)C(=O)OC)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H20N2O4S/c1-11(2)25(22,23)20-12(3)16(17(13(20)4)18(21)24-5)15-8-6-14(10-19)7-9-15/h6-9,11H,1-5H3