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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-methyl-N-(2-methylpropyl)-3-nitro-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-isobutyl-4-methyl-3-nitro-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-4-methyl-N-(2-methylpropyl)-3-nitrobenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-N-(2-methylpropyl)-3-nitrobenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-isobutyl-4-methyl-3-nitro-benzamide Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S/c1-11(2)9-17(14-6-7-24(22,23)10-14)16(19)13-5-4-12(3)15(8-13)18(20)21/h4-5,8,11,14H,6-7,9-10H2,1-3H3/t14-/m0/s1