N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(2-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(2-fluorophenyl)sulfonyl-isonipecotamide Formula: C21H22ClFN2O5S MolecularWeight: 468.926183

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F)Cl)OC1

InChI

InChI=1S/C21H22ClFN2O5S/c22-15-12-18-19(30-11-3-10-29-18)13-17(15)24-21(26)14-6-8-25(9-7-14)31(27,28)20-5-2-1-4-16(20)23/h1-2,4-5,12-14H,3,6-11H2,(H,24,26)