6-[azanyl(ethanoyl)amino]-2-(4-but-2-ynoxyphenyl)sulfonyl-hexanoic acid

Systemtic Name: 6-[azanyl(ethanoyl)amino]-2-(4-but-2-ynoxyphenyl)sulfonyl-hexanoic acid Openeye Name: 6-[acetyl(amino)amino]-2-(4-but-2-ynoxyphenyl)sulfonyl-hexanoic acid CAS Name: 6-[acetyl(amino)amino]-2-(4-but-2-ynoxyphenyl)sulfonylhexanoic acid IUPAC Name: 6-[acetyl(amino)amino]-2-(4-but-2-ynoxyphenyl)sulfonylhexanoic acid Traditional Name: 6-[acetyl(amino)amino]-2-(4-but-2-ynoxyphenyl)sulfonyl-hexanoic acid Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(CCCCN(C(=O)C)N)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(CCCCN(C(=O)C)N)C(=O)O

InChI

InChI=1S/C18H24N2O6S/c1-3-4-13-26-15-8-10-16(11-9-15)27(24,25)17(18(22)23)7-5-6-12-20(19)14(2)21/h8-11,17H,5-7,12-13,19H2,1-2H3,(H,22,23)