N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4,5-dihydrothiazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4,5-dihydrothiazol-2-yl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-thiazolin-2-yl)isonipecotamide Formula: C16H20N4O5S2 MolecularWeight: 412.4838

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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)NC3=NCCS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=NCCS3

InChI

InChI=1S/C16H20N4O5S2/c1-11-2-3-13(20(22)23)10-14(11)27(24,25)19-7-4-12(5-8-19)15(21)18-16-17-6-9-26-16/h2-3,10,12H,4-9H2,1H3,(H,17,18,21)