N-[[1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-4-yl]methyl]-2-piperidin-1-yl-ethanamine

Systemtic Name: N-[[1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-4-yl]methyl]-2-piperidin-1-yl-ethanamine Openeye Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydrobenzothiophen-4-yl]methyl]-2-(1-piperidyl)ethanamine CAS Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl]methyl]-2-(1-piperidinyl)ethanamine IUPAC Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl]methyl]-2-piperidin-1-ylethanamine Traditional Name: (3-besyl-1,1-diketo-2,3-dihydrobenzothiophen-4-yl)methyl-(2-piperidinoethyl)amine Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNCC2=C3C(CS(=O)(=O)C3=CC=C2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCNCC2=C3C(CS(=O)(=O)C3=CC=C2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H28N2O4S2/c25-29(26)17-21(30(27,28)19-9-3-1-4-10-19)22-18(8-7-11-20(22)29)16-23-12-15-24-13-5-2-6-14-24/h1,3-4,7-11,21,23H,2,5-6,12-17H2