N-[2-(4-chloranylphenoxy)ethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(4-chloranylphenoxy)ethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[2-(4-chlorophenoxy)ethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(4-chlorophenoxy)ethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(4-chlorophenoxy)ethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-(4-chlorophenoxy)ethyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCOC4=CC=C(C=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCOC4=CC=C(C=C4)Cl)OC1

InChI

InChI=1S/C23H27ClN2O6S/c24-18-2-4-19(5-3-18)30-15-10-25-23(27)17-8-11-26(12-9-17)33(28,29)20-6-7-21-22(16-20)32-14-1-13-31-21/h2-7,16-17H,1,8-15H2,(H,25,27)