N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(4-methylphenyl)methyl]-2-nitro-benzamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(4-methylphenyl)methyl]-2-nitro-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-nitro-N-(p-tolylmethyl)benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-[(4-methylphenyl)methyl]-2-nitrobenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methylphenyl)methyl]-2-nitrobenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-(4-methylbenzyl)-2-nitro-benzamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN([C@H]2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-14-6-8-15(9-7-14)12-20(16-10-11-27(25,26)13-16)19(22)17-4-2-3-5-18(17)21(23)24/h2-9,16H,10-13H2,1H3/t16-/m0/s1