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

Systemtic Name: (1S,4R)-4-(6-chloranylpurin-9-yl)-N-(2-nitrophenyl)sulfonyl-cyclopent-2-ene-1-carboxamide Openeye Name: (1S,4R)-4-(6-chloropurin-9-yl)-N-(2-nitrophenyl)sulfonyl-cyclopent-2-ene-1-carboxamide CAS Name: (1S,4R)-4-(6-chloro-9-purinyl)-N-(2-nitrophenyl)sulfonyl-1-cyclopent-2-enecarboxamide IUPAC Name: (1S,4R)-4-(6-chloropurin-9-yl)-N-(2-nitrophenyl)sulfonylcyclopent-2-ene-1-carboxamide Traditional Name: (1S,4R)-4-(6-chloropurin-9-yl)-N-(2-nitrophenyl)sulfonyl-cyclopent-2-ene-1-carboxamide Formula: C17H13ClN6O5S MolecularWeight: 448.84032

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC1N2C=NC3=C2N=CN=C3Cl)C(=O)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN6O5S/c18-15-14-16(20-8-19-15)23(9-21-14)11-6-5-10(7-11)17(25)22-30(28,29)13-4-2-1-3-12(13)24(26)27/h1-6,8-11H,7H2,(H,22,25)/t10-,11+/m1/s1