N-(2,6-dimethylphenyl)-2-fluoranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-fluoranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2,6-dimethylphenyl)-2-fluoro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(2,6-dimethylphenyl)-2-fluoro-5-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(2,6-dimethylphenyl)-2-fluoro-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2,6-dimethylphenyl)-2-fluoro-5-(4-phenylpiperazino)sulfonyl-benzamide Formula: C25H26FN3O3S MolecularWeight: 467.555643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)F

InChI

InChI=1S/C25H26FN3O3S/c1-18-7-6-8-19(2)24(18)27-25(30)22-17-21(11-12-23(22)26)33(31,32)29-15-13-28(14-16-29)20-9-4-3-5-10-20/h3-12,17H,13-16H2,1-2H3,(H,27,30)