methyl 2-ethyl-4-methyl-5-[(3-methylsulfonylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[(3-methylsulfonylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[(3-methylsulfonylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[(3-methylsulfonylanilino)-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[(3-methylsulfonylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-5-[(3-mesylphenyl)carbamoyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C)C(=O)OC

InChI

InChI=1S/C17H20N2O5S/c1-5-13-14(17(21)24-3)10(2)15(19-13)16(20)18-11-7-6-8-12(9-11)25(4,22)23/h6-9,19H,5H2,1-4H3,(H,18,20)