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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethyl-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-ethyl-3-nitro-4-piperidino-benzamide Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-2-20(15-8-11-27(25,26)13-15)18(22)14-6-7-16(17(12-14)21(23)24)19-9-4-3-5-10-19/h6-7,12,15H,2-5,8-11,13H2,1H3/t15-/m0/s1