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

Systemtic Name: methyl 2-[(4-iodophenyl)sulfonylamino]-5-(4-morpholin-4-ylphenyl)pent-4-ynoate Openeye Name: methyl 2-[(4-iodophenyl)sulfonylamino]-5-(4-morpholinophenyl)pent-4-ynoate CAS Name: 2-[(4-iodophenyl)sulfonylamino]-5-[4-(4-morpholinyl)phenyl]-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[(4-iodophenyl)sulfonylamino]-5-(4-morpholin-4-ylphenyl)pent-4-ynoate Traditional Name: 2-[(4-iodophenyl)sulfonylamino]-5-(4-morpholinophenyl)pent-4-ynoic acid methyl ester Formula: C22H23IN2O5S MolecularWeight: 554.39789

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CC1=CC=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)I

Isomeric SMILES

COC(=O)C(CC#CC1=CC=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C22H23IN2O5S/c1-29-22(26)21(24-31(27,28)20-11-7-18(23)8-12-20)4-2-3-17-5-9-19(10-6-17)25-13-15-30-16-14-25/h5-12,21,24H,4,13-16H2,1H3