N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,1-bis(oxidanylidene)thiolan-3-amine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,1-bis(oxidanylidene)thiolan-3-amine Openeye Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,1-dioxo-thiolan-3-amine CAS Name: N-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1,1-dioxo-3-thiolanamine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-1,1-dioxothiolan-3-amine Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(1,1-diketothiolan-3-yl)amine Formula: C16H23N3O6S2 MolecularWeight: 417.50032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCS(=O)(=O)C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCS(=O)(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O6S2/c20-19(21)16-11-14(27(24,25)18-8-3-1-2-4-9-18)5-6-15(16)17-13-7-10-26(22,23)12-13/h5-6,11,13,17H,1-4,7-10,12H2