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

Systemtic Name: 4-(azepan-1-yl)-N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(3-methyl-1,1-dioxo-thiolan-3-yl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(3-methyl-1,1-dioxo-3-thiolanyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(1,1-diketo-3-methyl-thiolan-3-yl)-3-nitro-benzamide Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

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