N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(3-chlorophenyl)methyl]-2-nitro-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(3-chlorophenyl)methyl]-2-nitro-benzamide Openeye Name: N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-nitro-benzamide CAS Name: N-[(3-chlorophenyl)methyl]-N-(1,1-dioxo-3-thiolanyl)-2-nitrobenzamide IUPAC Name: N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-nitrobenzamide Traditional Name: N-(3-chlorobenzyl)-N-(1,1-diketothiolan-3-yl)-2-nitro-benzamide Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O5S/c19-14-5-3-4-13(10-14)11-20(15-8-9-27(25,26)12-15)18(22)16-6-1-2-7-17(16)21(23)24/h1-7,10,15H,8-9,11-12H2