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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(4-ethylphenyl)methyl]-2-nitro-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-2-nitro-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-[(4-ethylphenyl)methyl]-2-nitrobenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-2-nitrobenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-(4-ethylbenzyl)-2-nitro-benzamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CN([C@H]2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-2-15-7-9-16(10-8-15)13-21(17-11-12-28(26,27)14-17)20(23)18-5-3-4-6-19(18)22(24)25/h3-10,17H,2,11-14H2,1H3/t17-/m0/s1