4-(6-chloranyl-2-formamido-purin-9-yl)-N-(2-nitrophenyl)sulfonyl-cyclopent-2-ene-1-carboxamide

Systemtic Name: 4-(6-chloranyl-2-formamido-purin-9-yl)-N-(2-nitrophenyl)sulfonyl-cyclopent-2-ene-1-carboxamide Openeye Name: 4-(6-chloro-2-formamido-purin-9-yl)-N-(2-nitrophenyl)sulfonyl-cyclopent-2-ene-1-carboxamide CAS Name: 4-(6-chloro-2-formamido-9-purinyl)-N-(2-nitrophenyl)sulfonyl-1-cyclopent-2-enecarboxamide IUPAC Name: 4-(6-chloro-2-formamidopurin-9-yl)-N-(2-nitrophenyl)sulfonylcyclopent-2-ene-1-carboxamide Traditional Name: 4-(6-chloro-2-formamido-purin-9-yl)-N-(2-nitrophenyl)sulfonyl-cyclopent-2-ene-1-carboxamide Formula: C18H14ClN7O6S MolecularWeight: 491.86506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN7O6S/c19-15-14-16(23-18(22-15)21-9-27)25(8-20-14)11-6-5-10(7-11)17(28)24-33(31,32)13-4-2-1-3-12(13)26(29)30/h1-6,8-11H,7H2,(H,24,28)(H,21,22,23,27)