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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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