1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)isonipecotamide Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H25N3O5S2/c1-15-24-19-5-3-17(13-22(19)32-15)25-23(27)16-7-9-26(10-8-16)33(28,29)18-4-6-20-21(14-18)31-12-2-11-30-20/h3-6,13-14,16H,2,7-12H2,1H3,(H,25,27)