methyl 5-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]carbonyl-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]carbonyl-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C)C(=O)OC

InChI

InChI=1S/C21H24N4O5S/c1-4-16-18(21(27)30-3)14(2)19(23-16)20(26)24-9-11-25(12-10-24)31(28,29)17-8-6-5-7-15(17)13-22/h5-8,23H,4,9-12H2,1-3H3