(E)-7-[(1S,2S,3S,4R)-3-[[5-(phenylsulfonylamino)thiophen-3-yl]carbonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid

Systemtic Name: (E)-7-[(1S,2S,3S,4R)-3-[[5-(phenylsulfonylamino)thiophen-3-yl]carbonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid Openeye Name: (E)-7-[(1S,2S,3S,4R)-3-[[5-(benzenesulfonamido)thiophene-3-carbonyl]amino]norbornan-2-yl]hept-5-enoic acid CAS Name: (E)-7-[(1S,2S,3S,4R)-3-[[[5-(benzenesulfonamido)-3-thiophenyl]-oxomethyl]amino]-2-bicyclo[2.2.1]heptanyl]-5-heptenoic acid IUPAC Name: (E)-7-[(1S,2S,3S,4R)-3-[[5-(benzenesulfonamido)thiophene-3-carbonyl]amino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid Traditional Name: (E)-7-[(1S,2S,3S,4R)-3-[[5-(benzenesulfonamido)thiophene-3-carbonyl]amino]norbornan-2-yl]hept-5-enoic acid Formula: C25H30N2O5S2 MolecularWeight: 502.6461

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1C(C2NC(=O)C3=CSC(=C3)NS(=O)(=O)C4=CC=CC=C4)CC=CCCCC(=O)O

Isomeric SMILES

C1C[C@@H]2C[C@H]1[C@@H]([C@H]2NC(=O)C3=CSC(=C3)NS(=O)(=O)C4=CC=CC=C4)C/C=C/CCCC(=O)O

InChI

InChI=1S/C25H30N2O5S2/c28-23(29)11-7-2-1-6-10-21-17-12-13-18(14-17)24(21)26-25(30)19-15-22(33-16-19)27-34(31,32)20-8-4-3-5-9-20/h1,3-6,8-9,15-18,21,24,27H,2,7,10-14H2,(H,26,30)(H,28,29)/b6-1+/t17-,18+,21-,24-/m0/s1