N-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H21N3O5S2/c25-20(23-21-22-16-3-1-2-4-19(16)30-21)14-7-9-24(10-8-14)31(26,27)15-5-6-17-18(13-15)29-12-11-28-17/h1-6,13-14H,7-12H2,(H,22,23,25)