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

Systemtic Name: methyl 4-[2-[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]ethanoyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[(4-tert-butylphenyl)sulfonyl-isobutyl-amino]acetyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 4-[2-[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]-1-oxoethyl]-1-ethyl-3,5-dimethyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate Traditional Name: 4-[2-[(4-tert-butylphenyl)sulfonyl-isobutyl-amino]acetyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylic acid methyl ester Formula: C26H38N2O5S MolecularWeight: 490.65532

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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)C(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O5S/c1-10-28-19(5)23(18(4)24(28)25(30)33-9)22(29)16-27(15-17(2)3)34(31,32)21-13-11-20(12-14-21)26(6,7)8/h11-14,17H,10,15-16H2,1-9H3