4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-N-phenethyl-benzenesulfonamide

Systemtic Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-N-phenethyl-benzenesulfonamide Openeye Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-N-phenethyl-benzenesulfonamide CAS Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-N-phenethylbenzenesulfonamide IUPAC Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-N-phenethylbenzenesulfonamide Traditional Name: 4-[3-keto-3-(4-piperonylpiperazino)propyl]-N-phenethyl-benzenesulfonamide Formula: C29H33N3O5S MolecularWeight: 535.65442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC=C(C=C4)S(=O)(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC=C(C=C4)S(=O)(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H33N3O5S/c33-29(32-18-16-31(17-19-32)21-25-8-12-27-28(20-25)37-22-36-27)13-9-24-6-10-26(11-7-24)38(34,35)30-15-14-23-4-2-1-3-5-23/h1-8,10-12,20,30H,9,13-19,21-22H2