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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methyl-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-methyl-3-nitro-4-piperidino-benzamide Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5S/c1-18(14-7-10-26(24,25)12-14)17(21)13-5-6-15(16(11-13)20(22)23)19-8-3-2-4-9-19/h5-6,11,14H,2-4,7-10,12H2,1H3/t14-/m0/s1