ethyl 4-fluoranyl-3-(4-phenylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-(4-phenylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-(4-phenylpiperazin-1-yl)sulfonyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[(4-phenyl-1-piperazinyl)sulfonyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-(4-phenylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(4-phenylpiperazino)sulfonyl-benzothiophene-2-carboxylic acid ethyl ester Formula: C21H21FN2O4S2 MolecularWeight: 448.530843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H21FN2O4S2/c1-2-28-21(25)19-20(18-16(22)9-6-10-17(18)29-19)30(26,27)24-13-11-23(12-14-24)15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3