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

Systemtic Name: ethyl 2,5-dimethyl-1-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-(4-tosylpiperazino)ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-5-30-22(27)20-14-17(3)25(18(20)4)15-21(26)23-10-12-24(13-11-23)31(28,29)19-8-6-16(2)7-9-19/h6-9,14H,5,10-13,15H2,1-4H3