(1S,4R)-4-(6-chloranylpurin-9-yl)-N-methyl-N-(2-nitrophenyl)sulfonyl-cyclopent-2-ene-1-carboxamide

Systemtic Name: (1S,4R)-4-(6-chloranylpurin-9-yl)-N-methyl-N-(2-nitrophenyl)sulfonyl-cyclopent-2-ene-1-carboxamide Openeye Name: (1S,4R)-4-(6-chloropurin-9-yl)-N-methyl-N-(2-nitrophenyl)sulfonyl-cyclopent-2-ene-1-carboxamide CAS Name: (1S,4R)-4-(6-chloro-9-purinyl)-N-methyl-N-(2-nitrophenyl)sulfonyl-1-cyclopent-2-enecarboxamide IUPAC Name: (1S,4R)-4-(6-chloropurin-9-yl)-N-methyl-N-(2-nitrophenyl)sulfonylcyclopent-2-ene-1-carboxamide Traditional Name: (1S,4R)-4-(6-chloropurin-9-yl)-N-methyl-N-(2-nitrophenyl)sulfonyl-cyclopent-2-ene-1-carboxamide Formula: C18H15ClN6O5S MolecularWeight: 462.8669

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1CC(C=C1)N2C=NC3=C2N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CN(C(=O)[C@H]1C[C@H](C=C1)N2C=NC3=C2N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN6O5S/c1-23(31(29,30)14-5-3-2-4-13(14)25(27)28)18(26)11-6-7-12(8-11)24-10-22-15-16(19)20-9-21-17(15)24/h2-7,9-12H,8H2,1H3/t11-,12+/m1/s1