N-(3-cyclopentyloxy-4-methoxy-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(3-cyclopentyloxy-4-methoxy-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(cyclopentoxy)-4-methoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(cyclopentoxy)-4-methoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OC4CCCC4

InChI

InChI=1S/C21H25NO6S/c1-25-18-9-7-15(13-21(18)28-16-5-2-3-6-16)22-29(23,24)17-8-10-19-20(14-17)27-12-4-11-26-19/h7-10,13-14,16,22H,2-6,11-12H2,1H3