N-(4-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)sulfonyl-4-fluoranyl-benzamide

Systemtic Name: N-(4-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)sulfonyl-4-fluoranyl-benzamide Openeye Name: N-(4-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)sulfonyl-4-fluoro-benzamide CAS Name: N-(4-ethoxyphenyl)-3-[(4-ethyl-1-piperazinyl)sulfonyl]-4-fluorobenzamide IUPAC Name: N-(4-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorobenzamide Traditional Name: 3-(4-ethylpiperazino)sulfonyl-4-fluoro-N-p-phenetyl-benzamide Formula: C21H26FN3O4S MolecularWeight: 435.512243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)OCC)F

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)OCC)F

InChI

InChI=1S/C21H26FN3O4S/c1-3-24-11-13-25(14-12-24)30(27,28)20-15-16(5-10-19(20)22)21(26)23-17-6-8-18(9-7-17)29-4-2/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,26)