N-[3-[2-ethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl]prop-2-ynyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[3-[2-ethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl]prop-2-ynyl]-2,2-dimethyl-propanamide Openeye Name: N-[3-[2-ethoxy-1-(p-tolylsulfonyl)-2,3-dihydropyrrol-5-yl]prop-2-ynyl]-2,2-dimethyl-propanamide CAS Name: N-[3-[2-ethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl]prop-2-ynyl]-2,2-dimethylpropanamide IUPAC Name: N-[3-[2-ethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl]prop-2-ynyl]-2,2-dimethylpropanamide Traditional Name: N-[3-(5-ethoxy-1-tosyl-2-pyrrolin-2-yl)prop-2-ynyl]-2,2-dimethyl-propionamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC=C(N1S(=O)(=O)C2=CC=C(C=C2)C)C#CCNC(=O)C(C)(C)C

Isomeric SMILES

CCOC1CC=C(N1S(=O)(=O)C2=CC=C(C=C2)C)C#CCNC(=O)C(C)(C)C

InChI

InChI=1S/C21H28N2O4S/c1-6-27-19-14-11-17(8-7-15-22-20(24)21(3,4)5)23(19)28(25,26)18-12-9-16(2)10-13-18/h9-13,19H,6,14-15H2,1-5H3,(H,22,24)