methyl 2-[(4-iodophenyl)sulfonylamino]-5-phenyl-pent-4-ynoate

Systemtic Name: methyl 2-[(4-iodophenyl)sulfonylamino]-5-phenyl-pent-4-ynoate Openeye Name: methyl 2-[(4-iodophenyl)sulfonylamino]-5-phenyl-pent-4-ynoate CAS Name: 2-[(4-iodophenyl)sulfonylamino]-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[(4-iodophenyl)sulfonylamino]-5-phenylpent-4-ynoate Traditional Name: 2-[(4-iodophenyl)sulfonylamino]-5-phenyl-pent-4-ynoic acid methyl ester Formula: C18H16INO4S MolecularWeight: 469.29341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16INO4S/c1-24-18(21)17(9-5-8-14-6-3-2-4-7-14)20-25(22,23)16-12-10-15(19)11-13-16/h2-4,6-7,10-13,17,20H,9H2,1H3