N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-anilino)acetamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-[4-nitro-2-(1-pyrrolidinylsulfonyl)anilino]acetamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-(4-nitro-2-pyrrolidin-1-ylsulfonylanilino)acetamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-(4-nitro-2-pyrrolidinosulfonyl-anilino)acetamide Formula: C16H22N4O7S2 MolecularWeight: 446.49848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC(=O)NC3CCS(=O)(=O)C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC(=O)NC3CCS(=O)(=O)C3

InChI

InChI=1S/C16H22N4O7S2/c21-16(18-12-5-8-28(24,25)11-12)10-17-14-4-3-13(20(22)23)9-15(14)29(26,27)19-6-1-2-7-19/h3-4,9,12,17H,1-2,5-8,10-11H2,(H,18,21)