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

Systemtic Name: N-[[1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-4-yl]methyl]-1-pyridin-3-yl-methanamine Openeye Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydrobenzothiophen-4-yl]methyl]-1-(3-pyridyl)methanamine CAS Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl]methyl]-1-(3-pyridinyl)methanamine IUPAC Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl]methyl]-1-pyridin-3-ylmethanamine Traditional Name: (3-besyl-1,1-diketo-2,3-dihydrobenzothiophen-4-yl)methyl-(3-pyridylmethyl)amine Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC=C2S1(=O)=O)CNCC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(C=CC=C2S1(=O)=O)CNCC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O4S2/c24-28(25)15-20(29(26,27)18-8-2-1-3-9-18)21-17(7-4-10-19(21)28)14-23-13-16-6-5-11-22-12-16/h1-12,20,23H,13-15H2