ethyl 1,2,5-trimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1,2,5-trimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1,2,5-trimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-pyrrole-3-carboxylate CAS Name: 1,2,5-trimethyl-4-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2,5-trimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpyrrole-3-carboxylate Traditional Name: 1,2,5-trimethyl-4-[4-(2-pyrimidyl)piperazino]sulfonyl-pyrrole-3-carboxylic acid ethyl ester Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)C)C)C

InChI

InChI=1S/C18H25N5O4S/c1-5-27-17(24)15-13(2)21(4)14(3)16(15)28(25,26)23-11-9-22(10-12-23)18-19-7-6-8-20-18/h6-8H,5,9-12H2,1-4H3