N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,1-diketothiolan-3-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C17H23N3O7S2 MolecularWeight: 445.51042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3CCS(=O)(=O)C3

InChI

InChI=1S/C17H23N3O7S2/c1-12-2-3-15(20(22)23)10-16(12)29(26,27)19-7-4-13(5-8-19)17(21)18-14-6-9-28(24,25)11-14/h2-3,10,13-14H,4-9,11H2,1H3,(H,18,21)