N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-amine

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-amine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-amine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-amine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)amine Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)NC4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)NC4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C21H23N3O5S/c25-30(26,24-9-2-1-3-10-24)16-6-8-18-17(14-16)23-21(29-18)22-15-5-7-19-20(13-15)28-12-4-11-27-19/h5-8,13-14H,1-4,9-12H2,(H,22,23)