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

Systemtic Name: methyl 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]pent-4-ynoate Openeye Name: methyl 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]pent-4-ynoate CAS Name: 2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylsulfanylphenyl)phenyl]sulfonylamino]pent-4-ynoate Traditional Name: 2-[[4-[4-(methylthio)phenyl]phenyl]sulfonylamino]pent-4-ynoic acid methyl ester Formula: C19H19NO4S2 MolecularWeight: 389.48846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO4S2/c1-4-5-18(19(21)24-2)20-26(22,23)17-12-8-15(9-13-17)14-6-10-16(25-3)11-7-14/h1,6-13,18,20H,5H2,2-3H3