N-[[4-methoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-5-yl]methyl]-1-pyridin-3-yl-methanamine

Systemtic Name: N-[[4-methoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-5-yl]methyl]-1-pyridin-3-yl-methanamine Openeye Name: N-[[3-(benzenesulfonyl)-4-methoxy-1,1-dioxo-2,3-dihydrobenzothiophen-5-yl]methyl]-1-(3-pyridyl)methanamine CAS Name: N-[[3-(benzenesulfonyl)-4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl]methyl]-1-(3-pyridinyl)methanamine IUPAC Name: N-[[3-(benzenesulfonyl)-4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl]methyl]-1-pyridin-3-ylmethanamine Traditional Name: (3-besyl-1,1-diketo-4-methoxy-2,3-dihydrobenzothiophen-5-yl)methyl-(3-pyridylmethyl)amine Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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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)CNCC4=CN=CC=C4

Isomeric SMILES

COC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)CNCC4=CN=CC=C4

InChI

InChI=1S/C22H22N2O5S2/c1-29-22-17(14-24-13-16-6-5-11-23-12-16)9-10-19-21(22)20(15-30(19,25)26)31(27,28)18-7-3-2-4-8-18/h2-12,20,24H,13-15H2,1H3