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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-nitro-4-piperidin-1-yl-N-propyl-benzamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-3-nitro-4-(1-piperidyl)-N-propyl-benzamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-3-nitro-4-(1-piperidinyl)-N-propylbenzamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-3-nitro-4-piperidin-1-yl-N-propylbenzamide Traditional Name: N-(1,1-diketothiolan-3-yl)-3-nitro-4-piperidino-N-propyl-benzamide Formula: C19H27N3O5S MolecularWeight: 409.49978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5S/c1-2-9-21(16-8-12-28(26,27)14-16)19(23)15-6-7-17(18(13-15)22(24)25)20-10-4-3-5-11-20/h6-7,13,16H,2-5,8-12,14H2,1H3