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

Systemtic Name: methyl 5-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[4-[(5-bromo-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-[(5-bromo-2-thienyl)sulfonyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H20BrN3O5S2 MolecularWeight: 490.3918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H20BrN3O5S2/c1-10-14(17(23)26-3)11(2)19-15(10)16(22)20-6-8-21(9-7-20)28(24,25)13-5-4-12(18)27-13/h4-5,19H,6-9H2,1-3H3