ethyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]sulfonyl-1,2,5-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H28ClN3O4S MolecularWeight: 453.98272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O4S/c1-6-29-21(26)19-15(3)23(5)16(4)20(19)30(27,28)25-11-9-24(10-12-25)18-13-17(22)8-7-14(18)2/h7-8,13H,6,9-12H2,1-5H3