N-[2-(1,3-benzodioxol-5-yl)-2-piperazin-1-yl-ethyl]-4-phenoxy-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-piperazin-1-yl-ethyl]-4-phenoxy-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-piperazin-1-yl-ethyl]-4-phenoxy-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-(1-piperazinyl)ethyl]-4-phenoxybenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-piperazin-1-ylethyl]-4-phenoxybenzenesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-piperazino-ethyl]-4-phenoxy-benzenesulfonamide Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CNS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1)C(CNS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O5S/c29-34(30,22-9-7-21(8-10-22)33-20-4-2-1-3-5-20)27-17-23(28-14-12-26-13-15-28)19-6-11-24-25(16-19)32-18-31-24/h1-11,16,23,26-27H,12-15,17-18H2