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

Systemtic Name: azepan-1-yl-[6-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone Openeye Name: azepan-1-yl-[6-(4-benzylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone CAS Name: 1-azepanyl-[6-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanone IUPAC Name: azepan-1-yl-[6-(4-benzylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone Traditional Name: azepan-1-yl-[6-(4-benzylpiperazino)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone Formula: C26H33N3O5S MolecularWeight: 499.62232

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2COC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H33N3O5S/c30-26(28-12-6-1-2-7-13-28)25-20-33-24-18-22(10-11-23(24)34-25)35(31,32)29-16-14-27(15-17-29)19-21-8-4-3-5-9-21/h3-5,8-11,18,25H,1-2,6-7,12-17,19-20H2