methyl (E)-5-[3-(phenylsulfonylamino)phenyl]pent-2-en-4-ynoate

Systemtic Name: methyl (E)-5-[3-(phenylsulfonylamino)phenyl]pent-2-en-4-ynoate Openeye Name: methyl (E)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynoate CAS Name: (E)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynoic acid methyl ester IUPAC Name: methyl (E)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynoate Traditional Name: (E)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynoic acid methyl ester Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO4S/c1-23-18(20)13-6-5-8-15-9-7-10-16(14-15)19-24(21,22)17-11-3-2-4-12-17/h2-4,6-7,9-14,19H,1H3/b13-6+