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

Systemtic Name: N-[[1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-4-yl]methyl]-1-phenyl-methanamine Openeye Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydrobenzothiophen-4-yl]methyl]-1-phenyl-methanamine CAS Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl]methyl]-1-phenylmethanamine IUPAC Name: N-[[3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-4-yl]methyl]-1-phenylmethanamine Traditional Name: benzyl-[(3-besyl-1,1-diketo-2,3-dihydrobenzothiophen-4-yl)methyl]amine Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4S2/c24-28(25)16-21(29(26,27)19-11-5-2-6-12-19)22-18(10-7-13-20(22)28)15-23-14-17-8-3-1-4-9-17/h1-13,21,23H,14-16H2