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

Systemtic Name: 4-[3-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-[3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: 4-[3-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-[3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: 4-[3-keto-3-(4-piperonyloylpiperazino)propyl]benzenesulfonamide Formula: C21H23N3O6S MolecularWeight: 445.48882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O6S/c22-31(27,28)17-5-1-15(2-6-17)3-8-20(25)23-9-11-24(12-10-23)21(26)16-4-7-18-19(13-16)30-14-29-18/h1-2,4-7,13H,3,8-12,14H2,(H2,22,27,28)