methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-5-iodanyl-pentanoate

Systemtic Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-5-iodanyl-pentanoate Openeye Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-5-iodo-pentanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-5-iodopentanoic acid methyl ester IUPAC Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-5-iodopentanoate Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-5-iodo-valeric acid methyl ester Formula: C17H22INO5S MolecularWeight: 479.32975

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(CCCI)C(=O)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(CCCI)C(=O)OC

InChI

InChI=1S/C17H22INO5S/c1-4-5-13-24-14-8-10-15(11-9-14)25(21,22)19(2)16(7-6-12-18)17(20)23-3/h8-11,16H,6-7,12-13H2,1-3H3