N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(3,4-dimethylphenyl)-4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-(3,4-dimethylphenyl)-4-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(3,4-dimethylphenyl)-4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-(3,4-dimethylphenyl)-4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C26H26FN3O4S MolecularWeight: 495.565743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN3O4S/c1-18-3-10-23(17-19(18)2)28-35(33,34)24-11-6-21(7-12-24)26(32)30-15-13-29(14-16-30)25(31)20-4-8-22(27)9-5-20/h3-12,17,28H,13-16H2,1-2H3