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

Systemtic Name: azepan-1-yl-[4-butoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-5-yl]methanone Openeye Name: azepan-1-yl-[3-(benzenesulfonyl)-4-butoxy-1,1-dioxo-2,3-dihydrobenzothiophen-5-yl]methanone CAS Name: 1-azepanyl-[3-(benzenesulfonyl)-4-butoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl]methanone IUPAC Name: azepan-1-yl-[3-(benzenesulfonyl)-4-butoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl]methanone Traditional Name: azepan-1-yl-(3-besyl-4-butoxy-1,1-diketo-2,3-dihydrobenzothiophen-5-yl)methanone Formula: C25H31NO6S2 MolecularWeight: 505.64674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H31NO6S2/c1-2-3-17-32-24-20(25(27)26-15-9-4-5-10-16-26)13-14-21-23(24)22(18-33(21,28)29)34(30,31)19-11-7-6-8-12-19/h6-8,11-14,22H,2-5,9-10,15-18H2,1H3