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

Systemtic Name: methyl 4-[2-[(4-tert-butylphenyl)sulfonyl-(3-methylbutyl)amino]ethanoyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[(4-tert-butylphenyl)sulfonyl-isopentyl-amino]acetyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 4-[2-[(4-tert-butylphenyl)sulfonyl-(3-methylbutyl)amino]-1-oxoethyl]-1-ethyl-3,5-dimethyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(4-tert-butylphenyl)sulfonyl-(3-methylbutyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate Traditional Name: 4-[2-[(4-tert-butylphenyl)sulfonyl-isoamyl-amino]acetyl]-1-ethyl-3,5-dimethyl-pyrrole-2-carboxylic acid methyl ester Formula: C27H40N2O5S MolecularWeight: 504.6819

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H40N2O5S/c1-10-29-20(5)24(19(4)25(29)26(31)34-9)23(30)17-28(16-15-18(2)3)35(32,33)22-13-11-21(12-14-22)27(6,7)8/h11-14,18H,10,15-17H2,1-9H3