methyl 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]pent-4-ynoate

Systemtic Name: methyl 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]pent-4-ynoate Openeye Name: methyl 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]pent-4-ynoate CAS Name: 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]pent-4-ynoate Traditional Name: 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]pent-4-ynoic acid methyl ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)NC(CC#C)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)NC(CC#C)C(=O)OC

InChI

InChI=1S/C21H19NO5S/c1-4-5-20(21(23)27-3)22-28(24,25)19-14-10-17(11-15-19)7-6-16-8-12-18(26-2)13-9-16/h1,8-15,20,22H,5H2,2-3H3