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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(3-bromophenyl)methyl]-2-nitro-benzamide Openeye Name: N-[(3-bromophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-nitro-benzamide CAS Name: N-[(3-bromophenyl)methyl]-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-nitrobenzamide IUPAC Name: N-[(3-bromophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-nitrobenzamide Traditional Name: N-(3-bromobenzyl)-N-[(3S)-1,1-diketothiolan-3-yl]-2-nitro-benzamide Formula: C18H17BrN2O5S MolecularWeight: 453.30698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N(CC2=CC(=CC=C2)Br)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN2O5S/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/t15-/m0/s1