N-[4-[4-[2-(2-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]quinoline-8-sulfonamide

Systemtic Name: N-[4-[4-[2-(2-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]quinoline-8-sulfonamide Openeye Name: N-[4-[4-[2-(o-tolyl)acetyl]piperazin-1-yl]phenyl]quinoline-8-sulfonamide CAS Name: N-[4-[4-[2-(2-methylphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]-8-quinolinesulfonamide IUPAC Name: N-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]quinoline-8-sulfonamide Traditional Name: N-[4-[4-[2-(o-tolyl)acetyl]piperazino]phenyl]quinoline-8-sulfonamide Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H28N4O3S/c1-21-6-2-3-7-23(21)20-27(33)32-18-16-31(17-19-32)25-13-11-24(12-14-25)30-36(34,35)26-10-4-8-22-9-5-15-29-28(22)26/h2-15,30H,16-20H2,1H3