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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-thiazol-2-yl-piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-thiazolyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-thiazol-2-yl-isonipecotamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=NC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=NC=CS4)OC1

InChI

InChI=1S/C18H21N3O5S2/c22-17(20-18-19-6-11-27-18)13-4-7-21(8-5-13)28(23,24)14-2-3-15-16(12-14)26-10-1-9-25-15/h2-3,6,11-13H,1,4-5,7-10H2,(H,19,20,22)