2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(phenylcarbonyloxy)hex-4-ynoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(phenylcarbonyloxy)hex-4-ynoic acid Openeye Name: 6-benzoyloxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid CAS Name: 6-benzoyloxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-4-hexynoic acid IUPAC Name: 6-benzoyloxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Traditional Name: 6-benzoyloxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Formula: C26H23NO7S MolecularWeight: 493.52832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CCOC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CCOC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H23NO7S/c1-33-22-14-10-19(11-15-22)20-12-16-23(17-13-20)35(31,32)27-24(25(28)29)9-5-6-18-34-26(30)21-7-3-2-4-8-21/h2-4,7-8,10-17,24,27H,9,18H2,1H3,(H,28,29)