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

Systemtic Name: azepan-1-yl-[4-hexoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-5-yl]methanone Openeye Name: azepan-1-yl-[3-(benzenesulfonyl)-4-hexoxy-1,1-dioxo-2,3-dihydrobenzothiophen-5-yl]methanone CAS Name: 1-azepanyl-[3-(benzenesulfonyl)-4-hexoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl]methanone IUPAC Name: azepan-1-yl-[3-(benzenesulfonyl)-4-hexoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl]methanone Traditional Name: azepan-1-yl-(3-besyl-4-hexoxy-1,1-diketo-2,3-dihydrobenzothiophen-5-yl)methanone Formula: C27H35NO6S2 MolecularWeight: 533.6999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H35NO6S2/c1-2-3-4-12-19-34-26-22(27(29)28-17-10-5-6-11-18-28)15-16-23-25(26)24(20-35(23,30)31)36(32,33)21-13-8-7-9-14-21/h7-9,13-16,24H,2-6,10-12,17-20H2,1H3