methyl (E)-7-[3-(phenylsulfonylamino)phenyl]hept-2-en-4,6-diynoate

Systemtic Name: methyl (E)-7-[3-(phenylsulfonylamino)phenyl]hept-2-en-4,6-diynoate Openeye Name: methyl (E)-7-[3-(benzenesulfonamido)phenyl]hept-2-en-4,6-diynoate CAS Name: (E)-7-[3-(benzenesulfonamido)phenyl]hept-2-en-4,6-diynoic acid methyl ester IUPAC Name: methyl (E)-7-[3-(benzenesulfonamido)phenyl]hept-2-en-4,6-diynoate Traditional Name: (E)-7-[3-(benzenesulfonamido)phenyl]hept-2-en-4,6-diynoic acid methyl ester Formula: C20H15NO4S MolecularWeight: 365.4024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC#CC#CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C/C#CC#CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H15NO4S/c1-25-20(22)15-8-3-2-5-10-17-11-9-12-18(16-17)21-26(23,24)19-13-6-4-7-14-19/h4,6-9,11-16,21H,1H3/b15-8+