4-bromanyl-N-[4-[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[4-[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]benzenesulfonamide Openeye Name: 4-bromo-N-[4-[4-[2-(m-tolyl)acetyl]piperazin-1-yl]phenyl]benzenesulfonamide CAS Name: 4-bromo-N-[4-[4-[2-(3-methylphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]benzenesulfonamide Traditional Name: 4-bromo-N-[4-[4-[2-(m-tolyl)acetyl]piperazino]phenyl]benzenesulfonamide Formula: C25H26BrN3O3S MolecularWeight: 528.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H26BrN3O3S/c1-19-3-2-4-20(17-19)18-25(30)29-15-13-28(14-16-29)23-9-7-22(8-10-23)27-33(31,32)24-11-5-21(26)6-12-24/h2-12,17,27H,13-16,18H2,1H3