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

Systemtic Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-tosyl-isonipecotamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H25N3O3S2/c1-3-25-19-6-4-5-7-20(19)29-22(25)23-21(26)17-12-14-24(15-13-17)30(27,28)18-10-8-16(2)9-11-18/h4-11,17H,3,12-15H2,1-2H3