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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methyl-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-methyl-3-nitro-4-pyrrolidino-benzamide Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5S/c1-17(13-6-9-25(23,24)11-13)16(20)12-4-5-14(15(10-12)19(21)22)18-7-2-3-8-18/h4-5,10,13H,2-3,6-9,11H2,1H3/t13-/m0/s1