methyl (2R,3R)-2-[(4-iodophenyl)sulfonylamino]-3-methoxy-5-phenyl-pent-4-ynoate

Systemtic Name: methyl (2R,3R)-2-[(4-iodophenyl)sulfonylamino]-3-methoxy-5-phenyl-pent-4-ynoate Openeye Name: methyl (2R,3R)-2-[(4-iodophenyl)sulfonylamino]-3-methoxy-5-phenyl-pent-4-ynoate CAS Name: (2R,3R)-2-[(4-iodophenyl)sulfonylamino]-3-methoxy-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl (2R,3R)-2-[(4-iodophenyl)sulfonylamino]-3-methoxy-5-phenylpent-4-ynoate Traditional Name: (2R,3R)-2-[(4-iodophenyl)sulfonylamino]-3-methoxy-5-phenyl-pent-4-ynoic acid methyl ester Formula: C19H18INO5S MolecularWeight: 499.31939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CO[C@H](C#CC1=CC=CC=C1)[C@H](C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C19H18INO5S/c1-25-17(13-8-14-6-4-3-5-7-14)18(19(22)26-2)21-27(23,24)16-11-9-15(20)10-12-16/h3-7,9-12,17-18,21H,1-2H3/t17-,18-/m1/s1