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

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-bromanyl-benzenesulfonamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-4-bromo-benzenesulfonamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-4-bromobenzenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-4-bromobenzenesulfonamide Traditional Name: 4-bromo-N-[3-keto-3-(4-piperonylpiperazino)propyl]benzenesulfonamide Formula: C21H24BrN3O5S MolecularWeight: 510.40136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O5S/c22-17-2-4-18(5-3-17)31(27,28)23-8-7-21(26)25-11-9-24(10-12-25)14-16-1-6-19-20(13-16)30-15-29-19/h1-6,13,23H,7-12,14-15H2