azepan-1-yl-[6-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone

Systemtic Name: azepan-1-yl-[6-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone Openeye Name: azepan-1-yl-[6-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone CAS Name: 1-azepanyl-[6-[(4-cyclohexyl-1-piperazinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanone IUPAC Name: azepan-1-yl-[6-(4-cyclohexylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone Traditional Name: azepan-1-yl-[6-(4-cyclohexylpiperazino)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone Formula: C25H37N3O5S MolecularWeight: 491.64338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2COC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5CCCCC5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2COC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C25H37N3O5S/c29-25(27-12-6-1-2-7-13-27)24-19-32-23-18-21(10-11-22(23)33-24)34(30,31)28-16-14-26(15-17-28)20-8-4-3-5-9-20/h10-11,18,20,24H,1-9,12-17,19H2