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

Systemtic Name: ethyl 3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-(4-tosylpiperazine-1-carbonyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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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=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-5-29-21(26)19-15(3)18(16(4)22-19)20(25)23-10-12-24(13-11-23)30(27,28)17-8-6-14(2)7-9-17/h6-9,22H,5,10-13H2,1-4H3