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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[4-(2-thienyl)thiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-thiophen-2-yl-2-thiazolyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[4-(2-thienyl)thiazol-2-yl]isonipecotamide Formula: C22H23N3O5S3 MolecularWeight: 505.63012

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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)C5=CC=CS5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=NC(=CS4)C5=CC=CS5)OC1

InChI

InChI=1S/C22H23N3O5S3/c26-21(24-22-23-17(14-32-22)20-3-1-12-31-20)15-6-8-25(9-7-15)33(27,28)16-4-5-18-19(13-16)30-11-2-10-29-18/h1,3-5,12-15H,2,6-11H2,(H,23,24,26)