ethyl 4-[2-[(4-fluorophenyl)sulfonyl-prop-2-enyl-amino]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[2-[(4-fluorophenyl)sulfonyl-prop-2-enyl-amino]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[allyl-(4-fluorophenyl)sulfonyl-amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[(4-fluorophenyl)sulfonyl-prop-2-enylamino]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-fluorophenyl)sulfonyl-prop-2-enylamino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[allyl-(4-fluorophenyl)sulfonyl-amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H23FN2O5S MolecularWeight: 422.470423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN(CC=C)S(=O)(=O)C2=CC=C(C=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN(CC=C)S(=O)(=O)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C20H23FN2O5S/c1-5-11-23(29(26,27)16-9-7-15(21)8-10-16)12-17(24)18-13(3)19(22-14(18)4)20(25)28-6-2/h5,7-10,22H,1,6,11-12H2,2-4H3