methylamino 3-(4-but-2-ynoxyphenyl)-5-iodanyl-2-sulfonyl-pentanoate

Systemtic Name: methylamino 3-(4-but-2-ynoxyphenyl)-5-iodanyl-2-sulfonyl-pentanoate Openeye Name: methylamino 3-(4-but-2-ynoxyphenyl)-5-iodo-2-sulfonyl-pentanoate CAS Name: 3-(4-but-2-ynoxyphenyl)-5-iodo-2-sulfonylpentanoic acid methylamino ester IUPAC Name: methylamino 3-(4-but-2-ynoxyphenyl)-5-iodo-2-sulfonylpentanoate Traditional Name: 3-(4-but-2-ynoxyphenyl)-5-iodo-2-sulfonyl-valeric acid methylamino ester Formula: C16H18INO5S MolecularWeight: 463.28729

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C(CCI)C(=S(=O)=O)C(=O)ONC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C(CCI)C(=S(=O)=O)C(=O)ONC

InChI

InChI=1S/C16H18INO5S/c1-3-4-11-22-13-7-5-12(6-8-13)14(9-10-17)15(24(20)21)16(19)23-18-2/h5-8,14,18H,9-11H2,1-2H3