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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-bromanyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-4-bromo-benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-4-bromobenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-4-bromobenzenesulfonamide Traditional Name: 4-bromo-N-[2-keto-2-(4-piperonylpiperazino)ethyl]benzenesulfonamide Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O5S/c21-16-2-4-17(5-3-16)30(26,27)22-12-20(25)24-9-7-23(8-10-24)13-15-1-6-18-19(11-15)29-14-28-18/h1-6,11,22H,7-10,12-14H2