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

Systemtic Name: azepan-1-yl-[4-methoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-5-yl]methanone Openeye Name: azepan-1-yl-[3-(benzenesulfonyl)-4-methoxy-1,1-dioxo-2,3-dihydrobenzothiophen-5-yl]methanone CAS Name: 1-azepanyl-[3-(benzenesulfonyl)-4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl]methanone IUPAC Name: azepan-1-yl-[3-(benzenesulfonyl)-4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl]methanone Traditional Name: azepan-1-yl-(3-besyl-1,1-diketo-4-methoxy-2,3-dihydrobenzothiophen-5-yl)methanone Formula: C22H25NO6S2 MolecularWeight: 463.567

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H25NO6S2/c1-29-21-17(22(24)23-13-7-2-3-8-14-23)11-12-18-20(21)19(15-30(18,25)26)31(27,28)16-9-5-4-6-10-16/h4-6,9-12,19H,2-3,7-8,13-15H2,1H3