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

Systemtic Name: 4-(1-adamantylamino)-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(1-adamantylamino)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitro-benzamide CAS Name: 4-(1-adamantylamino)-N-(1,1-dioxo-3-thiolanyl)-N-methyl-3-nitrobenzamide IUPAC Name: 4-(1-adamantylamino)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide Traditional Name: 4-(1-adamantylamino)-N-(1,1-diketothiolan-3-yl)-N-methyl-3-nitro-benzamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O5S/c1-24(18-4-5-31(29,30)13-18)21(26)17-2-3-19(20(9-17)25(27)28)23-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-3,9,14-16,18,23H,4-8,10-13H2,1H3