N,N-diethyl-4-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-[3-(2-furyl)propanoyl]piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[3-(2-furanyl)-1-oxopropyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-[3-(2-furyl)propanoyl]piperazino]-3-nitro-benzenesulfonamide Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O6S/c1-3-24(4-2)32(29,30)18-8-9-19(20(16-18)25(27)28)22-11-13-23(14-12-22)21(26)10-7-17-6-5-15-31-17/h5-6,8-9,15-16H,3-4,7,10-14H2,1-2H3