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

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-keto-3-(4-piperonylpiperazino)propyl]-4-nitro-benzenesulfonamide Formula: C21H24N4O7S MolecularWeight: 476.50286

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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)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCNS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O7S/c26-21(7-8-22-33(29,30)18-4-2-17(3-5-18)25(27)28)24-11-9-23(10-12-24)14-16-1-6-19-20(13-16)32-15-31-19/h1-6,13,22H,7-12,14-15H2