methyl 4-[2-[(4-bromophenyl)sulfonyl-(2-methylpropyl)amino]ethanoyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[(4-bromophenyl)sulfonyl-(2-methylpropyl)amino]ethanoyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[(4-bromophenyl)sulfonyl-isobutyl-amino]acetyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 4-[2-[(4-bromophenyl)sulfonyl-(2-methylpropyl)amino]-1-oxoethyl]-1-ethyl-3,5-dimethyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate Traditional Name: 4-[2-[brosyl(isobutyl)amino]acetyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylic acid methyl ester Formula: C22H29BrN2O5S MolecularWeight: 513.44506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C(=O)OC)C)C(=O)CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CCN1C(=C(C(=C1C(=O)OC)C)C(=O)CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C22H29BrN2O5S/c1-7-25-16(5)20(15(4)21(25)22(27)30-6)19(26)13-24(12-14(2)3)31(28,29)18-10-8-17(23)9-11-18/h8-11,14H,7,12-13H2,1-6H3