N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[[3-[3-(1-piperazinylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[3-[3-(piperazinomethyl)phenyl]benzyl]-1,3-benzodioxole-5-sulfonamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNS(=O)(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNS(=O)(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O4S/c29-33(30,23-7-8-24-25(15-23)32-18-31-24)27-16-19-3-1-5-21(13-19)22-6-2-4-20(14-22)17-28-11-9-26-10-12-28/h1-8,13-15,26-27H,9-12,16-18H2