azepan-1-yl-[4-octoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-5-yl]methanone

Systemtic Name: azepan-1-yl-[4-octoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-5-yl]methanone Openeye Name: azepan-1-yl-[3-(benzenesulfonyl)-4-octoxy-1,1-dioxo-2,3-dihydrobenzothiophen-5-yl]methanone CAS Name: 1-azepanyl-[3-(benzenesulfonyl)-4-octoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl]methanone IUPAC Name: azepan-1-yl-[3-(benzenesulfonyl)-4-octoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl]methanone Traditional Name: azepan-1-yl-(3-besyl-1,1-diketo-4-octoxy-2,3-dihydrobenzothiophen-5-yl)methanone Formula: C29H39NO6S2 MolecularWeight: 561.75306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CCCCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C29H39NO6S2/c1-2-3-4-5-8-14-21-36-28-24(29(31)30-19-12-6-7-13-20-30)17-18-25-27(28)26(22-37(25,32)33)38(34,35)23-15-10-9-11-16-23/h9-11,15-18,26H,2-8,12-14,19-22H2,1H3