N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-tosyl-isonipecotamide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H24N4O5S2/c1-3-25-19-14-17(26(28)29)6-9-20(19)32-22(25)23-21(27)16-10-12-24(13-11-16)33(30,31)18-7-4-15(2)5-8-18/h4-9,14,16H,3,10-13H2,1-2H3