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

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-phenylsulfanyl-hex-4-ynoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-phenylsulfanyl-hex-4-ynoic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(phenylthio)-4-hexynoic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-phenylsulfanylhex-4-ynoic acid Traditional Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(phenylthio)hex-4-ynoic acid Formula: C25H23NO5S2 MolecularWeight: 481.58382

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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#CCSC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CCSC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H23NO5S2/c1-31-21-14-10-19(11-15-21)20-12-16-23(17-13-20)33(29,30)26-24(25(27)28)9-5-6-18-32-22-7-3-2-4-8-22/h2-4,7-8,10-17,24,26H,9,18H2,1H3,(H,27,28)