N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]-4-bromanyl-benzenesulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]-4-bromanyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-4-bromo-benzenesulfonamide CAS Name: N-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]-4-bromobenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-4-bromobenzenesulfonamide Traditional Name: 4-bromo-N-[2-(4-piperonylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Formula: C25H24BrN3O5S MolecularWeight: 558.44416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4NS(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4NS(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H24BrN3O5S/c26-19-6-8-20(9-7-19)35(31,32)27-22-4-2-1-3-21(22)25(30)29-13-11-28(12-14-29)16-18-5-10-23-24(15-18)34-17-33-23/h1-10,15,27H,11-14,16-17H2