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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

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