N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-chloranyl-2-nitro-phenoxy)-N-cyclopentyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-chloranyl-2-nitro-phenoxy)-N-cyclopentyl-ethanamide Openeye Name: 2-(4-chloro-2-nitro-phenoxy)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: 2-(4-chloro-2-nitrophenoxy)-N-cyclopentyl-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: 2-(4-chloro-2-nitrophenoxy)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: 2-(4-chloro-2-nitro-phenoxy)-N-cyclopentyl-N-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C17H21ClN2O6S MolecularWeight: 416.87644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N([C@H]2CCS(=O)(=O)C2)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN2O6S/c18-12-5-6-16(15(9-12)20(22)23)26-10-17(21)19(13-3-1-2-4-13)14-7-8-27(24,25)11-14/h5-6,9,13-14H,1-4,7-8,10-11H2/t14-/m0/s1