N-(2-dimethylaminoethyl)-4-octoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-octoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxamide Openeye Name: 3-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-4-octoxy-1,1-dioxo-2,3-dihydrobenzothiophene-5-carboxamide CAS Name: 3-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-4-octoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxamide IUPAC Name: 3-(benzenesulfonyl)-N-(2-dimethylaminoethyl)-4-octoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxamide Traditional Name: 3-besyl-N-(2-dimethylaminoethyl)-1,1-diketo-4-octoxy-2,3-dihydrobenzothiophene-5-carboxamide Formula: C27H38N2O6S2 MolecularWeight: 550.73042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)NCCN(C)C

Isomeric SMILES

CCCCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)NCCN(C)C

InChI

InChI=1S/C27H38N2O6S2/c1-4-5-6-7-8-12-19-35-26-22(27(30)28-17-18-29(2)3)15-16-23-25(26)24(20-36(23,31)32)37(33,34)21-13-10-9-11-14-21/h9-11,13-16,24H,4-8,12,17-20H2,1-3H3,(H,28,30)